Extractor.runExtraction output to c:\temp\iupac\henry\v_acs\icl-ifd Extractor.runExtraction 0 c:/temp/iupac/henry/v_acs/IFD-extract.json test 0: !Extractor ifdExtractScriptFIle= c:\temp\iupac\henry\v_acs\IFD-extract.json localsourceArchive = c:\temp\iupac\henry\v_acs\Archive.tar.gz targetDir = c:\temp\iupac\henry\v_acs\icl-ifd\v_acs test 0: !Extracting c:\temp\iupac\henry\v_acs\IFD-extract.json test 0: 0.0.4-alpha+2202.11.28 test 0: !example = aggregation v7 provided by Thomas Mies, Imperial College London; curated by Henry Rzepa test 0: !IFD.property.collectionset.source_data_license_uri = https://creativecommons.org/licenses/by-nc/4.0 test 0: !IFD.property.collectionset.source_data_license_name = cc-by-nc-4.0 test 0: !IFD.property.collectionset.source_repository_uri = https://data.hpc.imperial.ac.uk/resolve/?doi=10386 test 0: !IFD.property.collectionset.source_publication_uri = https://doi.org/10.1021/acs.inorgchem.3c01506 test 0: !IFD.property.collectionset.source_data_uri = https://doi.org/10.14469/hpc/10386 test 0: ! WARNING: local source directory does not exist (ignored): https://doi.org/10.14469/hpc/10386 -- Extractor.phase1CheckSource test 0: !IFD.property.collectionset.source_data_uri = ./Archive.tar.gz test 0: !FAIRSpec.extractor.flag.association.byid = true test 0: !FAIRSpec.extractor.flags = test 0: !cmpd = {compound=IFD.property.fairspec.compound.id::*} test 0: !FAIRSpec.extractor.object = {compound=IFD.property.fairspec.compound.id::*}{IFD.representation.structure.cdxml::/**/{IFD.property.structure.id::*}.cdxml} test 0: !Extractor.ObjectParser pattern: ^(?[^|/]+)(?\Q/\E(?:[^|/]+/)*(?[^|/]+)\Q.cdxml\E)$ test 0: !FAIRSpec.extractor.object = {compound=IFD.property.fairspec.compound.id::*}{IFD.representation.structure.mol::/{IFD.property.structure.id::*}.mol} test 0: !Extractor.ObjectParser pattern: ^(?[^|/]+)(?\Q/\E(?[^|/]+)\Q.mol\E)$ test 0: !FAIRSpec.extractor.object = {compound=IFD.property.fairspec.compound.id::*}{IFD.representation.structure.png::/{IFD.property.structure.id::*}.png} test 0: !Extractor.ObjectParser pattern: ^(?[^|/]+)(?\Q/\E(?[^|/]+)\Q.png\E)$ test 0: !FAIRSpec.extractor.object = {compound=IFD.property.fairspec.compound.id::*}{IFD.representation.structure.cif::/**/{IFD.property.structure.id::*.cif}} test 0: !Extractor.ObjectParser pattern: ^(?[^|/]+)(?\Q/\E(?:[^|/]+/)*(?[^|/]+\Q.cif\E))$ test 0: !FAIRSpec.extractor.object = {compound=IFD.property.fairspec.compound.id::*}{IFD.representation.structure.cml::/{IFD.property.structure.id::-comp/*}/*.cml} test 0: !Extractor.ObjectParser pattern: ^(?[^|/]+)(?\Q/\E(?\k\Q-comp/\E[^|/]+)\Q/\E[^|/]+\Q.cml\E)$ test 0: !FAIRSpec.extractor.object = {compound=IFD.property.fairspec.compound.id::*}{IFD.representation.dataobject.fairspec.comp.input::/{IFD.property.dataobject.id::-comp/*/*}.gjf} test 0: !Extractor.ObjectParser pattern: ^(?[^|/]+)(?\Q/\E(?\k\Q-comp/\E[^|/]+\Q/\E[^|/]+)\Q.gjf\E)$ test 0: !FAIRSpec.extractor.object = {compound=IFD.property.fairspec.compound.id::*}{IFD.representation.dataobject.fairspec.comp.output::/{IFD.property.dataobject.id::-comp/*/*}.fchk} test 0: !Extractor.ObjectParser pattern: ^(?[^|/]+)(?\Q/\E(?\k\Q-comp/\E[^|/]+\Q/\E[^|/]+)\Q.fchk\E)$ test 0: !FAIRSpec.extractor.object = {compound=IFD.property.fairspec.compound.id::*}{IFD.representation.dataobject.fairspec.comp.output::/{IFD.property.dataobject.id::-comp/*/*}.log} test 0: !Extractor.ObjectParser pattern: ^(?[^|/]+)(?\Q/\E(?\k\Q-comp/\E[^|/]+\Q/\E[^|/]+)\Q.log\E)$ test 0: !FAIRSpec.extractor.object = {compound=IFD.property.fairspec.compound.id::*}{IFD.representation.dataobject.fairspec.ir.document::/{IFD.property.dataobject.id::*-IR}/*.pdf} test 0: !Extractor.ObjectParser pattern: ^(?[^|/]+)(?\Q/\E(?[^|/]+\Q-IR\E)\Q/\E[^|/]+\Q.pdf\E)$ test 0: !FAIRSpec.extractor.object = {compound=IFD.property.fairspec.compound.id::*}{IFD.representation.dataobject.fairspec.nmr.vendor_dataset::/**/{IFD.property.dataobject.id::*.mnova}} test 0: !Extractor.ObjectParser pattern: ^(?[^|/]+)(?\Q/\E(?:[^|/]+/)*(?[^|/]+\Q.mnova\E))$ test 0: !FAIRSpec.extractor.object = {compound=IFD.property.fairspec.compound.id::*}{IFD.representation.dataobject.fairspec.nmr.vendor_dataset::/**/{IFD.property.dataobject.id::*}.jdx} test 0: !Extractor.ObjectParser pattern: ^(?[^|/]+)(?\Q/\E(?:[^|/]+/)*(?[^|/]+)\Q.jdx\E)$ test 0: !FAIRSpec.extractor.object = {compound=IFD.property.fairspec.compound.id::*}{IFD.representation.dataobject.fairspec.nmr.vendor_dataset::/**/{IFD.property.dataobject.id::*}.zip} test 0: !Extractor.ObjectParser pattern: ^(?[^|/]+)(?\Q/\E(?:[^|/]+/)*(?[^|/]+)\Q.zip\E)$ test 0: !FAIRSpec.extractor.object = {compound=IFD.property.fairspec.compound.id::*}{IFD.representation.dataobject.fairspec.nmr.vendor_dataset::/*/{IFD.property.dataobject.id::*}.pdf} test 0: !Extractor.ObjectParser pattern: ^(?[^|/]+)(?\Q/\E[^|/]+\Q/\E(?[^|/]+)\Q.pdf\E)$ test 0: !FAIRSpec.extractor.object = {compound=IFD.property.fairspec.compound.id::*}{IFD.representation.dataobject.fairspec.nmr.vendor_dataset::/*/*/{IFD.property.dataobject.id::*}.pdf} test 0: !Extractor.ObjectParser pattern: ^(?[^|/]+)(?\Q/\E[^|/]+\Q/\E[^|/]+\Q/\E(?[^|/]+)\Q.pdf\E)$ test 0: !FAIRSpec.extractor.object = {compound=IFD.property.fairspec.compound.id::*}{IFD.representation.dataobject.fairspec.xray.cif::/**/{IFD.property.dataobject.id::*.cif}} test 0: !Extractor.ObjectParser pattern: ^(?[^|/]+)(?\Q/\E(?:[^|/]+/)*(?[^|/]+\Q.cif\E))$ test 0: !IFD.property.collectionset.byid = true test 0: !IFD.property.collectionset.source_data_uri = ./structures/ test 0: !NOTE: local source directory does not exist (ignored): ./structures/ -- Extractor.phase1CheckSource test 0: !FAIRSpec.extractor.object = {IFD.representation.structure.cdxml::{IFD.property.fairspec.compound.id::{IFD.property.structure.id::*}}.cdxml} test 0: !FAIRSpec.extractor.object = {IFD.representation.structure.cdxml::{IFD.property.fairspec.compound.id::*}/{IFD.property.structure.id::*}.cdxml} test 0: !FAIRSpec.extractor.object = {IFD.representation.structure.cdxml::{IFD.property.fairspec.compound.id::{IFD.property.structure.id::*}}.cdx} test 0: !FAIRSpec.extractor.object = {IFD.representation.structure.cdxml::{IFD.property.fairspec.compound.id::*}/{IFD.property.structure.id::*}.cdx} test 0: !IFD.property.collectionset.source_data_uri = ./structures.zip test 0: !NOTE: local source directory does not exist (ignored): ./structures.zip -- Extractor.phase1CheckSource test 0: !FAIRSpec.extractor.object = {IFD.representation.structure.cdxml::{IFD.property.fairspec.compound.id::{IFD.property.structure.id::*}}.cdxml} test 0: !FAIRSpec.extractor.object = {IFD.representation.structure.cdxml::{IFD.property.fairspec.compound.id::*}/{IFD.property.structure.id::*}.cdxml} test 0: !FAIRSpec.extractor.object = {IFD.representation.structure.cdxml::{IFD.property.fairspec.compound.id::{IFD.property.structure.id::*}}.cdx} test 0: !FAIRSpec.extractor.object = {IFD.representation.structure.cdxml::{IFD.property.fairspec.compound.id::*}/{IFD.property.structure.id::*}.cdx} test 0: 15 extractor regex strings test 0: !license: cc-by-nc-4.0 at https://creativecommons.org/licenses/by-nc/4.0 test 0: ===== test 0: extractObjects from file:///c:/temp/iupac/henry/v_acs/Archive.tar.gz test 0: extractObjects to c:\temp\iupac\henry\v_acs\icl-ifd\v_acs test 0: !cleaning directory Archive test 0: !retrieving file:/c:/temp/iupac/henry/v_acs/Archive.tar.gz test 0: Phase 2.1 checking zip directory: 1 5/ test 0: Phase 2.1 checking zip directory: 2 5/5-13C in dmso-d6/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 11 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 11 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 4 ms test 0: Phase 2.1 checking zip directory: 4 5/5-1H in dmso-d6/ test 0: Phase 2.1 checking zip directory: 6 5/5-X-ray/ test 0: Phase 2.1 checking zip directory: 8 5/5-13C in CD3OD/ test 0: Phase 2.1 checking zip directory: 9 5/5-IR/ test 0: Phase 2.1 checking zip directory: 12 5/5-1H in CD3OD/ test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.mnova addProperty Title=Jul23-2022.50.fid test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-0XX, unprot. pyr, CD3OD test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.mnova addProperty Comment=TM-VI-0XX, unprot. pyr, CD3OD test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.mnova addProperty Origin=Bruker test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.mnova addProperty Instrument=spect test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.4583 test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.mnova addProperty Experiment=1D test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.mnova addProperty Number of Scans=16 test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.mnova addProperty Receiver Gain=111.61 test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.mnova addProperty Relaxation Delay=1.0 test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.mnova addProperty Pulse Width=11.25 test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.mnova addProperty Acquisition Time=2.0447233 test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.timestamp=2022-07-23T17:32:00 test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.mnova addProperty Acquisition Date=2022-07-23T17:32:00 test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.mnova addProperty Modification Date=2022-07-23T17:32:43 test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.mnova addProperty Spectrum Quality=0 test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41240246 test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.mnova addProperty Spectral Width=8012.82051282051 test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.mnova addProperty Lowest Frequency=-1613.64014635193 test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.mnova addProperty Acquired Size=16384 test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.mnova addProperty Spectral Size=65536 test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.mnova addProperty Digital Resolution=0.122265938000801 test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/ test 0: Phase 2.1 checking zip directory: 8 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/ test 0: Phase 2.1 checking zip directory: 9 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/1/ test 0: !rezip pattern found 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/ [IFDRepresentation type=null ref=[IFDReference Archive::5/5-1H in CD3OD/5-1H in CD3OD.zip|50/ :as::5_5-1H_in_CD3OD_5-1H_in_CD3OD.zip..50.zip]] test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.mnova addProperty Title=Jul23-2022.51.fid test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-0XX, unprot. pyr, CD3OD 13C test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.mnova addProperty Comment=TM-VI-0XX, unprot. pyr, CD3OD 13C test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.mnova addProperty Origin=Bruker test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.mnova addProperty Instrument=spect test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.0292 test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.mnova addProperty Experiment=1D test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.mnova addProperty Number of Scans=480 test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.mnova addProperty Receiver Gain=207.33 test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.mnova addProperty Relaxation Delay=1.0 test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.mnova addProperty Pulse Width=9.6 test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.mnova addProperty Acquisition Time=0.622592 test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.timestamp=2022-07-23T17:46:00 test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.mnova addProperty Acquisition Date=2022-07-23T17:46:00 test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.mnova addProperty Modification Date=2022-07-23T17:46:25 test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.694248477066 test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.mnova addProperty Spectrum Quality=0 test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.mnova addProperty Spectral Width=26315.7894736842 test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.mnova addProperty Lowest Frequency=-1945.23000160868 test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.mnova addProperty Acquired Size=16384 test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.mnova addProperty Spectral Size=65536 test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.mnova addProperty Digital Resolution=0.401547080592105 test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/ test 0: Phase 2.1 checking zip directory: 9 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/ test 0: Phase 2.1 checking zip directory: 10 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/1/ test 0: !rezip pattern found 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/ [IFDRepresentation type=null ref=[IFDReference Archive::5/5-13C in CD3OD/5-13C in CD3OD.zip|51/ :as::5_5-13C_in_CD3OD_5-13C_in_CD3OD.zip..51.zip]] test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C6 H8 N2 O3 test 0: !Jmol Setting space group name to 14 test 0: !Jmol Setting space group name to HM:P 21/c test 0: !Jmol Setting space group name to Hall:-P 2ybc test 0: !Jmol AB2127 test 0: !Jmol 11 bonds read test 0: !Jmol CIF creating molecule for 76 atoms using GEOM_BOND records test 0: !Jmol reading 19 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 19 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 6 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C6 H8 N2 O3 test 0: !Jmol Setting space group name to 14 test 0: !Jmol Setting space group name to HM:P 21/c test 0: !Jmol Setting space group name to Hall:-P 2ybc test 0: !Jmol AB2127 test 0: !Jmol reading 86 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 86 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 8 ms test 0: Phase 2.1 checking zip directory: 2 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/ test 0: Phase 2.1 checking zip directory: 9 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/ test 0: Phase 2.1 checking zip directory: 10 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/1/ test 0: !rezip pattern found 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/ [IFDRepresentation type=null ref=[IFDReference Archive::5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/ :as::5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.zip..70.zip]] test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.mnova addProperty Title=Mar21-2022.70.fid test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-01X, dmso-d6 test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.mnova addProperty Comment=TM-VI-01X, dmso-d6 test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.mnova addProperty Origin=Bruker test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.mnova addProperty Instrument=spect test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=DMSO test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.4812 test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.mnova addProperty Experiment=1D test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.mnova addProperty Number of Scans=16 test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.mnova addProperty Receiver Gain=156.14 test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.mnova addProperty Relaxation Delay=1.0 test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.mnova addProperty Pulse Width=11.25 test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.mnova addProperty Acquisition Time=2.0447233 test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.mnova addProperty IFD.property.dataobject.timestamp=2022-03-21T18:23:00 test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.mnova addProperty Acquisition Date=2022-03-21T18:23:00 test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.mnova addProperty Modification Date=2022-03-21T18:23:44 test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.mnova addProperty Spectrum Quality=0 test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2024012 test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.mnova addProperty Spectral Width=8012.8205128205 test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.mnova addProperty Lowest Frequency=-1609.01214689709 test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.mnova addProperty Acquired Size=16384 test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.mnova addProperty Spectral Size=65536 test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.mnova addProperty Digital Resolution=0.122265938000801 test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 5_5-13C_in_dmso-d6_5-in_dmso-d6.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 5_5-13C_in_dmso-d6_5-in_dmso-d6.mnova addProperty Title=May10-2022.50.fid test 0: 5_5-13C_in_dmso-d6_5-in_dmso-d6.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-01X, dmso 13C new test 0: 5_5-13C_in_dmso-d6_5-in_dmso-d6.mnova addProperty Comment=TM-VI-01X, dmso 13C new test 0: 5_5-13C_in_dmso-d6_5-in_dmso-d6.mnova addProperty Origin=Bruker test 0: 5_5-13C_in_dmso-d6_5-in_dmso-d6.mnova addProperty Instrument=spect test 0: 5_5-13C_in_dmso-d6_5-in_dmso-d6.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=DMSO test 0: 5_5-13C_in_dmso-d6_5-in_dmso-d6.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.8824 test 0: 5_5-13C_in_dmso-d6_5-in_dmso-d6.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 5_5-13C_in_dmso-d6_5-in_dmso-d6.mnova addProperty Experiment=1D test 0: 5_5-13C_in_dmso-d6_5-in_dmso-d6.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 5_5-13C_in_dmso-d6_5-in_dmso-d6.mnova addProperty Number of Scans=1200 test 0: 5_5-13C_in_dmso-d6_5-in_dmso-d6.mnova addProperty Receiver Gain=199.33 test 0: 5_5-13C_in_dmso-d6_5-in_dmso-d6.mnova addProperty Relaxation Delay=1.0 test 0: 5_5-13C_in_dmso-d6_5-in_dmso-d6.mnova addProperty Pulse Width=9.05 test 0: 5_5-13C_in_dmso-d6_5-in_dmso-d6.mnova addProperty Acquisition Time=0.5767168 test 0: 5_5-13C_in_dmso-d6_5-in_dmso-d6.mnova addProperty IFD.property.dataobject.timestamp=2022-05-10T21:19:00 test 0: 5_5-13C_in_dmso-d6_5-in_dmso-d6.mnova addProperty Acquisition Date=2022-05-10T21:19:00 test 0: 5_5-13C_in_dmso-d6_5-in_dmso-d6.mnova addProperty Modification Date=2022-05-10T21:19:56 test 0: 5_5-13C_in_dmso-d6_5-in_dmso-d6.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.641439460712 test 0: 5_5-13C_in_dmso-d6_5-in_dmso-d6.mnova addProperty Spectrum Quality=0 test 0: 5_5-13C_in_dmso-d6_5-in_dmso-d6.mnova addProperty Spectral Width=28409.090909091 test 0: 5_5-13C_in_dmso-d6_5-in_dmso-d6.mnova addProperty Lowest Frequency=-3168.50276774823 test 0: 5_5-13C_in_dmso-d6_5-in_dmso-d6.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 5_5-13C_in_dmso-d6_5-in_dmso-d6.mnova addProperty Acquired Size=16384 test 0: 5_5-13C_in_dmso-d6_5-in_dmso-d6.mnova addProperty Spectral Size=65536 test 0: 5_5-13C_in_dmso-d6_5-in_dmso-d6.mnova addProperty Digital Resolution=0.433488325639206 test 0: 5_5-13C_in_dmso-d6_5-in_dmso-d6.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 5_5-13C_in_dmso-d6_5-in_dmso-d6.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 5_5-13C_in_dmso-d6_5-in_dmso-d6.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/ test 0: Phase 2.1 checking zip directory: 10 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/ test 0: Phase 2.1 checking zip directory: 11 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/1/ test 0: !rezip pattern found 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/ [IFDRepresentation type=null ref=[IFDReference Archive::5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/ :as::5_5-13C_in_dmso-d6_5-13C_in_dmso-d6.zip..50.zip]] test 0: Phase 2.1 checking zip directory: 31 6/ test 0: Phase 2.1 checking zip directory: 33 6/6-cosy in CDCl3/ test 0: Phase 2.1 checking zip directory: 35 6/6-13C in CD3OD/ test 0: Phase 2.1 checking zip directory: 36 6/6-IR/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 17 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 17 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: Phase 2.1 checking zip directory: 39 6/6-13C in CDCl3/ test 0: Phase 2.1 checking zip directory: 40 6/6-1H in CD3OD/ test 0: Phase 2.1 checking zip directory: 41 6/6-1H in CDCl3/ test 0: Phase 2.1 checking zip directory: 42 6/6-hmbc in CDCl3/ test 0: Phase 2.1 checking zip directory: 44 6/6-hsqc in CDCl3/ test 0: 6_6-hsqc_in_CDCl3_6-hsqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 6_6-hsqc_in_CDCl3_6-hsqc_in_CDCl3.mnova addProperty Title=Oct07-2021.34.ser test 0: 6_6-hsqc_in_CDCl3_6-hsqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-111 hmqc test 0: 6_6-hsqc_in_CDCl3_6-hsqc_in_CDCl3.mnova addProperty Comment=TM-VI-111 hmqc test 0: 6_6-hsqc_in_CDCl3_6-hsqc_in_CDCl3.mnova addProperty Origin=Bruker test 0: 6_6-hsqc_in_CDCl3_6-hsqc_in_CDCl3.mnova addProperty Instrument=spect test 0: 6_6-hsqc_in_CDCl3_6-hsqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 6_6-hsqc_in_CDCl3_6-hsqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.5107 test 0: 6_6-hsqc_in_CDCl3_6-hsqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmqcgpqf test 0: 6_6-hsqc_in_CDCl3_6-hsqc_in_CDCl3.mnova addProperty Experiment=HMQC test 0: 6_6-hsqc_in_CDCl3_6-hsqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 6_6-hsqc_in_CDCl3_6-hsqc_in_CDCl3.mnova addProperty Number of Scans=4 test 0: 6_6-hsqc_in_CDCl3_6-hsqc_in_CDCl3.mnova addProperty Receiver Gain=207.33 test 0: 6_6-hsqc_in_CDCl3_6-hsqc_in_CDCl3.mnova addProperty Relaxation Delay=1.0 test 0: 6_6-hsqc_in_CDCl3_6-hsqc_in_CDCl3.mnova addProperty Pulse Width=11.25 test 0: 6_6-hsqc_in_CDCl3_6-hsqc_in_CDCl3.mnova addProperty Acquisition Time=0.10649599999999994 test 0: 6_6-hsqc_in_CDCl3_6-hsqc_in_CDCl3.mnova addProperty IFD.property.dataobject.timestamp=2021-10-07T19:11:31 test 0: 6_6-hsqc_in_CDCl3_6-hsqc_in_CDCl3.mnova addProperty Acquisition Date=2021-10-07T19:11:31 test 0: 6_6-hsqc_in_CDCl3_6-hsqc_in_CDCl3.mnova addProperty Modification Date=2021-10-07T19:21:05 test 0: 6_6-hsqc_in_CDCl3_6-hsqc_in_CDCl3.mnova addProperty Spectrum Quality=0 test 0: 6_6-hsqc_in_CDCl3_6-hsqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.692234813598 test 0: 6_6-hsqc_in_CDCl3_6-hsqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41200205 test 0: 6_6-hsqc_in_CDCl3_6-hsqc_in_CDCl3.mnova addProperty Spectral Width=4807.69230769231 test 0: 6_6-hsqc_in_CDCl3_6-hsqc_in_CDCl3.mnova addProperty Lowest Frequency=-401.796153858833 test 0: 6_6-hsqc_in_CDCl3_6-hsqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 6_6-hsqc_in_CDCl3_6-hsqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 6_6-hsqc_in_CDCl3_6-hsqc_in_CDCl3.mnova addProperty Acquired Size=512 test 0: 6_6-hsqc_in_CDCl3_6-hsqc_in_CDCl3.mnova addProperty Spectral Size=512 test 0: 6_6-hsqc_in_CDCl3_6-hsqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 6_6-hsqc_in_CDCl3_6-hsqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 6_6-hsqc_in_CDCl3_6-hsqc_in_CDCl3.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.mnova addProperty Title=Oct07-2021.35.ser test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-111 hmbc test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.mnova addProperty Comment=TM-VI-111 hmbc test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.mnova addProperty Origin=Bruker test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.mnova addProperty Instrument=spect test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=293.7323 test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.mnova addProperty Experiment=HMBC test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.mnova addProperty Number of Scans=8 test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.mnova addProperty Receiver Gain=207.33 test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.mnova addProperty Relaxation Delay=1.0 test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.mnova addProperty Pulse Width=11.25 test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.mnova addProperty Acquisition Time=0.08519680000000006 test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.timestamp=2021-10-07T20:03:18 test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.mnova addProperty Acquisition Date=2021-10-07T20:03:18 test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.mnova addProperty Modification Date=2021-10-07T20:22:59 test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.mnova addProperty Spectrum Quality=0 test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.6952553088 test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41280287 test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.mnova addProperty Spectral Width=6009.61538461538 test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.mnova addProperty Lowest Frequency=-201.937692325443 test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.mnova addProperty Acquired Size=512 test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.mnova addProperty Spectral Size=512 test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/ test 0: Phase 2.1 checking zip directory: 9 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/ test 0: Phase 2.1 checking zip directory: 10 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/1/ test 0: !rezip pattern found 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/ [IFDRepresentation type=null ref=[IFDReference Archive::6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/ :as::6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.zip..35.zip]] test 0: Phase 2.1 checking zip directory: 2 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/ test 0: Phase 2.1 checking zip directory: 8 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/ test 0: Phase 2.1 checking zip directory: 9 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/1/ test 0: !rezip pattern found 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/ [IFDRepresentation type=null ref=[IFDReference Archive::6/6-1H in CDCl3/6-1H in CDCl3.zip|20/ :as::6_6-1H_in_CDCl3_6-1H_in_CDCl3.zip..20.zip]] test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.mnova addProperty Title=Nov08-2021.20.fid test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-152 test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.mnova addProperty Comment=TM-VI-152 test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.mnova addProperty Origin=Bruker test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.mnova addProperty Instrument=spect test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.0482 test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.mnova addProperty Experiment=1D test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.mnova addProperty Number of Scans=16 test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.mnova addProperty Receiver Gain=199.33 test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.mnova addProperty Relaxation Delay=1.0 test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.mnova addProperty Pulse Width=10.0 test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.mnova addProperty Acquisition Time=2.0447233 test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.timestamp=2021-11-08T10:55:00 test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.mnova addProperty Acquisition Date=2021-11-08T10:55:00 test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.mnova addProperty Modification Date=2021-11-08T10:55:49 test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.mnova addProperty Spectrum Quality=0 test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2024012 test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.mnova addProperty Spectral Width=8012.8205128205 test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.mnova addProperty Lowest Frequency=-1615.17516405659 test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.mnova addProperty Acquired Size=16384 test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.mnova addProperty Spectral Size=65536 test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.mnova addProperty Title=Jul23-2022.30.fid test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-152, Ph-pyr, CD3OD test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.mnova addProperty Comment=TM-VI-152, Ph-pyr, CD3OD test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.mnova addProperty Origin=Bruker test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.mnova addProperty Instrument=spect test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.4258 test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.mnova addProperty Experiment=1D test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.mnova addProperty Number of Scans=16 test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.mnova addProperty Receiver Gain=88.06 test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.mnova addProperty Relaxation Delay=1.0 test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.mnova addProperty Pulse Width=11.25 test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.mnova addProperty Acquisition Time=2.0447233 test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.timestamp=2022-07-23T16:40:00 test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.mnova addProperty Acquisition Date=2022-07-23T16:40:00 test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.mnova addProperty Modification Date=2022-07-23T16:40:17 test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.mnova addProperty Spectrum Quality=0 test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41240246 test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.mnova addProperty Spectral Width=8012.82051282051 test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.mnova addProperty Lowest Frequency=-1603.95025642547 test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.mnova addProperty Acquired Size=16384 test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.mnova addProperty Spectral Size=65536 test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.mnova addProperty Digital Resolution=0.122265938000801 test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/ test 0: Phase 2.1 checking zip directory: 8 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/ test 0: Phase 2.1 checking zip directory: 9 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/1/ test 0: !rezip pattern found 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/ [IFDRepresentation type=null ref=[IFDReference Archive::6/6-1H in CD3OD/6-1H in CD3OD.zip|30/ :as::6_6-1H_in_CD3OD_6-1H_in_CD3OD.zip..30.zip]] test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.mnova addProperty Title=Oct07-2021.33.fid test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-111 13C test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.mnova addProperty Comment=TM-VI-111 13C test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.mnova addProperty Origin=Bruker test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.mnova addProperty Instrument=spect test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.6726 test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.mnova addProperty Experiment=1D test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.mnova addProperty Number of Scans=480 test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.mnova addProperty Receiver Gain=207.33 test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.mnova addProperty Relaxation Delay=1.0 test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.mnova addProperty Pulse Width=9.6 test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.mnova addProperty Acquisition Time=0.622592 test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.timestamp=2021-10-07T19:10:00 test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.mnova addProperty Acquisition Date=2021-10-07T19:10:00 test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.mnova addProperty Modification Date=2021-10-07T19:10:58 test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.694248477066 test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.mnova addProperty Spectrum Quality=0 test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.mnova addProperty Spectral Width=26315.7894736842 test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.mnova addProperty Lowest Frequency=-2073.6756049357 test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.mnova addProperty Acquired Size=16384 test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.mnova addProperty Spectral Size=65536 test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/ test 0: Phase 2.1 checking zip directory: 10 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/ test 0: Phase 2.1 checking zip directory: 11 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/1/ test 0: !rezip pattern found 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/ [IFDRepresentation type=null ref=[IFDReference Archive::6/6-13C in CDCl3/6-13C in CDCl3.zip|33/ :as::6_6-13C_in_CDCl3_6-13C_in_CDCl3.zip..33.zip]] test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.mnova addProperty Title=Jul23-2022.31.fid test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-152, Ph-pyr, CD3OD 13C test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.mnova addProperty Comment=TM-VI-152, Ph-pyr, CD3OD 13C test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.mnova addProperty Origin=Bruker test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.mnova addProperty Instrument=spect test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.0656 test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.mnova addProperty Experiment=1D test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.mnova addProperty Number of Scans=1200 test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.mnova addProperty Receiver Gain=207.33 test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.mnova addProperty Relaxation Delay=1.0 test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.mnova addProperty Pulse Width=9.6 test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.mnova addProperty Acquisition Time=0.622592 test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.timestamp=2022-07-23T17:14:00 test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.mnova addProperty Acquisition Date=2022-07-23T17:14:00 test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.mnova addProperty Modification Date=2022-07-23T17:14:13 test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.mnova addProperty Spectrum Quality=0 test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.694248477066 test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.mnova addProperty Spectral Width=26315.7894736842 test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.mnova addProperty Lowest Frequency=-2084.41767085039 test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.mnova addProperty Acquired Size=16384 test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.mnova addProperty Spectral Size=65536 test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.mnova addProperty Digital Resolution=0.401547080592105 test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/ test 0: Phase 2.1 checking zip directory: 9 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/ test 0: Phase 2.1 checking zip directory: 10 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/1/ test 0: !rezip pattern found 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/ [IFDRepresentation type=null ref=[IFDReference Archive::6/6-13C in CD3OD/6-13C in CD3OD.zip|31/ :as::6_6-13C_in_CD3OD_6-13C_in_CD3OD.zip..31.zip]] test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.mnova addProperty Title=Oct07-2021.32.ser test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-111 cosy test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.mnova addProperty Comment=TM-VI-111 cosy test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.mnova addProperty Origin=Bruker test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.mnova addProperty Instrument=spect test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=293.8326 test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=cosygpqf test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.mnova addProperty Experiment=COSY test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.mnova addProperty Number of Scans=4 test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.mnova addProperty Receiver Gain=207.33 test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.mnova addProperty Relaxation Delay=1.0 test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.mnova addProperty Pulse Width=11.25 test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.mnova addProperty Acquisition Time=0.10649599999999994 test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.mnova addProperty IFD.property.dataobject.timestamp=2021-10-07T18:47:56 test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.mnova addProperty Acquisition Date=2021-10-07T18:47:56 test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.mnova addProperty Modification Date=2021-10-07T18:56:55 test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.mnova addProperty Spectrum Quality=0 test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.41200205 test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41200205 test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.mnova addProperty Spectral Width=4807.69230769231 test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.mnova addProperty Lowest Frequency=-401.796153858833 test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.mnova addProperty Acquired Size=512 test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.mnova addProperty Spectral Size=512 test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/ test 0: Phase 2.1 checking zip directory: 9 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/ test 0: Phase 2.1 checking zip directory: 10 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/1/ test 0: !rezip pattern found 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/ [IFDRepresentation type=null ref=[IFDReference Archive::6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/ :as::6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.zip..32.zip]] test 0: Phase 2.1 checking zip directory: 74 8/ test 0: Phase 2.1 checking zip directory: 75 8/8-IR/ test 0: Phase 2.1 checking zip directory: 78 8/8-1H in CDCl3/ test 0: Phase 2.1 checking zip directory: 80 8/8-1H in CD3OD/ test 0: Phase 2.1 checking zip directory: 81 8/8-hmqc in CDCl3/ test 0: Phase 2.1 checking zip directory: 82 8/8-hsqc in CDCl3/ test 0: Phase 2.1 checking zip directory: 84 8/8-hmbc in CDCl3/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 20 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 20 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 2 ms test 0: Phase 2.1 checking zip directory: 86 8/8-13C in CDCl3/ test 0: Phase 2.1 checking zip directory: 87 8/8-13C in CD3OD/ test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.mnova addProperty Title=Jul23-2022.21.fid test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-153, PMB-pyr, CD3OD 13C test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.mnova addProperty Comment=TM-VI-153, PMB-pyr, CD3OD 13C test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.mnova addProperty Origin=Bruker test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.mnova addProperty Instrument=spect test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.015 test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.mnova addProperty Experiment=1D test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.mnova addProperty Number of Scans=1200 test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.mnova addProperty Receiver Gain=207.33 test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.mnova addProperty Relaxation Delay=1.0 test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.mnova addProperty Pulse Width=9.6 test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.mnova addProperty Acquisition Time=0.622592 test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.timestamp=2022-07-23T16:37:00 test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.mnova addProperty Acquisition Date=2022-07-23T16:37:00 test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.mnova addProperty Modification Date=2022-07-23T16:37:56 test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.694248477066 test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.mnova addProperty Spectrum Quality=0 test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.mnova addProperty Spectral Width=26315.7894736842 test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.mnova addProperty Lowest Frequency=-1946.80058218023 test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.mnova addProperty Acquired Size=16384 test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.mnova addProperty Spectral Size=65536 test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.mnova addProperty Digital Resolution=0.401547080592105 test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/ test 0: Phase 2.1 checking zip directory: 10 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/ test 0: Phase 2.1 checking zip directory: 11 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/1/ test 0: !rezip pattern found 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/ [IFDRepresentation type=null ref=[IFDReference Archive::8/8-13C in CD3OD/8-13C in CD3OD.zip|21/ :as::8_8-13C_in_CD3OD_8-13C_in_CD3OD.zip..21.zip]] test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.mnova addProperty Title=Sep09-2021.121.fid test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-090 13C test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.mnova addProperty Comment=TM-VI-090 13C test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.mnova addProperty Origin=Bruker test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.mnova addProperty Instrument=spect test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.1943 test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.mnova addProperty Experiment=1D test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.mnova addProperty Number of Scans=320 test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.mnova addProperty Receiver Gain=199.33 test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.mnova addProperty Relaxation Delay=1.0 test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.mnova addProperty Pulse Width=10.8 test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.mnova addProperty Acquisition Time=0.5767168 test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.timestamp=2021-09-09T18:33:00 test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.mnova addProperty Acquisition Date=2021-09-09T18:33:00 test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.mnova addProperty Modification Date=2021-09-09T18:33:19 test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.641439460712 test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.mnova addProperty Spectrum Quality=0 test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.mnova addProperty Spectral Width=28409.090909091 test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.mnova addProperty Lowest Frequency=-3136.72489102873 test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.mnova addProperty Acquired Size=16384 test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.mnova addProperty Spectral Size=65536 test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/ test 0: Phase 2.1 checking zip directory: 9 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/ test 0: Phase 2.1 checking zip directory: 10 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/1/ test 0: !rezip pattern found 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/ [IFDRepresentation type=null ref=[IFDReference Archive::8/8-13C in CDCl3/8-13C in CDCl3.zip|121/ :as::8_8-13C_in_CDCl3_8-13C_in_CDCl3.zip..121.zip]] test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.mnova addProperty Title=Sep06-2021.33.ser test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-084mfr hmbc test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.mnova addProperty Comment=TM-VI-084mfr hmbc test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.mnova addProperty Origin=Bruker test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.mnova addProperty Instrument=spect test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.7924 test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.mnova addProperty Experiment=HMBC test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.mnova addProperty Number of Scans=8 test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.mnova addProperty Receiver Gain=207.33 test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.mnova addProperty Relaxation Delay=1.0 test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.mnova addProperty Pulse Width=11.25 test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.mnova addProperty Acquisition Time=0.08519680000000006 test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.timestamp=2021-09-06T23:14:30 test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.mnova addProperty Acquisition Date=2021-09-06T23:14:30 test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.mnova addProperty Modification Date=2021-09-06T23:34:10 test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.mnova addProperty Spectrum Quality=0 test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.6952553088 test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41280287 test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.mnova addProperty Spectral Width=6009.61538461538 test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.mnova addProperty Lowest Frequency=-201.937692325443 test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.mnova addProperty Acquired Size=512 test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.mnova addProperty Spectral Size=512 test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/ test 0: Phase 2.1 checking zip directory: 9 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/ test 0: Phase 2.1 checking zip directory: 10 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/1/ test 0: !rezip pattern found 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/ [IFDRepresentation type=null ref=[IFDReference Archive::8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/ :as::8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.zip..33.zip]] test 0: 8_8-hmqc_in_CDCl3_8-hmqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 8_8-hmqc_in_CDCl3_8-hmqc_in_CDCl3.mnova addProperty Title=Sep06-2021.32.ser test 0: 8_8-hmqc_in_CDCl3_8-hmqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-084mfr hmqc test 0: 8_8-hmqc_in_CDCl3_8-hmqc_in_CDCl3.mnova addProperty Comment=TM-VI-084mfr hmqc test 0: 8_8-hmqc_in_CDCl3_8-hmqc_in_CDCl3.mnova addProperty Origin=Bruker test 0: 8_8-hmqc_in_CDCl3_8-hmqc_in_CDCl3.mnova addProperty Instrument=spect test 0: 8_8-hmqc_in_CDCl3_8-hmqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 8_8-hmqc_in_CDCl3_8-hmqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.8119 test 0: 8_8-hmqc_in_CDCl3_8-hmqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmqcgpqf test 0: 8_8-hmqc_in_CDCl3_8-hmqc_in_CDCl3.mnova addProperty Experiment=HMQC test 0: 8_8-hmqc_in_CDCl3_8-hmqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 8_8-hmqc_in_CDCl3_8-hmqc_in_CDCl3.mnova addProperty Number of Scans=4 test 0: 8_8-hmqc_in_CDCl3_8-hmqc_in_CDCl3.mnova addProperty Receiver Gain=207.33 test 0: 8_8-hmqc_in_CDCl3_8-hmqc_in_CDCl3.mnova addProperty Relaxation Delay=1.0 test 0: 8_8-hmqc_in_CDCl3_8-hmqc_in_CDCl3.mnova addProperty Pulse Width=11.25 test 0: 8_8-hmqc_in_CDCl3_8-hmqc_in_CDCl3.mnova addProperty Acquisition Time=0.10649599999999994 test 0: 8_8-hmqc_in_CDCl3_8-hmqc_in_CDCl3.mnova addProperty IFD.property.dataobject.timestamp=2021-09-06T16:50:17 test 0: 8_8-hmqc_in_CDCl3_8-hmqc_in_CDCl3.mnova addProperty Acquisition Date=2021-09-06T16:50:17 test 0: 8_8-hmqc_in_CDCl3_8-hmqc_in_CDCl3.mnova addProperty Modification Date=2021-09-06T16:59:50 test 0: 8_8-hmqc_in_CDCl3_8-hmqc_in_CDCl3.mnova addProperty Spectrum Quality=0 test 0: 8_8-hmqc_in_CDCl3_8-hmqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.692234813598 test 0: 8_8-hmqc_in_CDCl3_8-hmqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41200205 test 0: 8_8-hmqc_in_CDCl3_8-hmqc_in_CDCl3.mnova addProperty Spectral Width=4807.69230769231 test 0: 8_8-hmqc_in_CDCl3_8-hmqc_in_CDCl3.mnova addProperty Lowest Frequency=-401.796153858833 test 0: 8_8-hmqc_in_CDCl3_8-hmqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 8_8-hmqc_in_CDCl3_8-hmqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 8_8-hmqc_in_CDCl3_8-hmqc_in_CDCl3.mnova addProperty Acquired Size=512 test 0: 8_8-hmqc_in_CDCl3_8-hmqc_in_CDCl3.mnova addProperty Spectral Size=512 test 0: 8_8-hmqc_in_CDCl3_8-hmqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 8_8-hmqc_in_CDCl3_8-hmqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 8_8-hmqc_in_CDCl3_8-hmqc_in_CDCl3.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/ test 0: Phase 2.1 checking zip directory: 9 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/ test 0: Phase 2.1 checking zip directory: 10 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/1/ test 0: !rezip pattern found 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/ [IFDRepresentation type=null ref=[IFDReference Archive::8/8-1H in CD3OD/8-1H in CD3OD.zip|20/ :as::8_8-1H_in_CD3OD_8-1H_in_CD3OD.zip..20.zip]] test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.mnova addProperty Title=Jul23-2022.20.fid test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-153, PMB-pyr, CD3OD test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.mnova addProperty Comment=TM-VI-153, PMB-pyr, CD3OD test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.mnova addProperty Origin=Bruker test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.mnova addProperty Instrument=spect test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.0066 test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.mnova addProperty Experiment=1D test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.mnova addProperty Number of Scans=16 test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.mnova addProperty Receiver Gain=72.01 test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.mnova addProperty Relaxation Delay=1.0 test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.mnova addProperty Pulse Width=11.25 test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.mnova addProperty Acquisition Time=2.0447233 test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.timestamp=2022-07-23T16:03:00 test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.mnova addProperty Acquisition Date=2022-07-23T16:03:00 test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.mnova addProperty Modification Date=2022-07-23T16:03:41 test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.mnova addProperty Spectrum Quality=0 test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41240246 test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.mnova addProperty Spectral Width=8012.82051282051 test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.mnova addProperty Lowest Frequency=-1613.76026895433 test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.mnova addProperty Acquired Size=16384 test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.mnova addProperty Spectral Size=65536 test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.mnova addProperty Digital Resolution=0.122265938000801 test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/ test 0: Phase 2.1 checking zip directory: 8 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/ test 0: Phase 2.1 checking zip directory: 9 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/1/ test 0: !rezip pattern found 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/ [IFDRepresentation type=null ref=[IFDReference Archive::8/8-1H in CDCl3/8-1H in CDCl3.zip|10/ :as::8_8-1H_in_CDCl3_8-1H_in_CDCl3.zip..10.zip]] test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.mnova addProperty Title=Nov08-2021.10.fid test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-151 test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.mnova addProperty Comment=TM-VI-151 test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.mnova addProperty Origin=Bruker test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.mnova addProperty Instrument=spect test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.0075 test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.mnova addProperty Experiment=1D test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.mnova addProperty Number of Scans=16 test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.mnova addProperty Receiver Gain=55.57 test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.mnova addProperty Relaxation Delay=1.0 test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.mnova addProperty Pulse Width=10.0 test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.mnova addProperty Acquisition Time=2.0447233 test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.timestamp=2021-11-08T10:52:00 test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.mnova addProperty Acquisition Date=2021-11-08T10:52:00 test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.mnova addProperty Modification Date=2021-11-08T10:52:16 test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2024012 test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.mnova addProperty Spectrum Quality=0 test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.mnova addProperty Spectral Width=8012.8205128205 test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.mnova addProperty Lowest Frequency=-1618.10722355196 test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.mnova addProperty Acquired Size=16384 test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.mnova addProperty Spectral Size=65536 test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 113 9/ test 0: Phase 2.1 checking zip directory: 114 9/9-enol-HMBC/ test 0: Phase 2.1 checking zip directory: 115 9/9-enol-13C/ test 0: Phase 2.1 checking zip directory: 116 9/9-IR/ test 0: Phase 2.1 checking zip directory: 118 9/9-enol-HSQC/ test 0: Phase 2.1 checking zip directory: 119 9/9-keto-13C/ test 0: Phase 2.1 checking zip directory: 120 9/9-enol-1H/ test 0: Phase 2.1 checking zip directory: 124 9/9-enol-HMQC/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 30 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 30 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: Phase 2.1 checking zip directory: 126 9/9-enol-cosy/ test 0: Phase 2.1 checking zip directory: 127 9/9-enolHMBC/ test 0: Phase 2.1 checking zip directory: 129 9/9-keto-1H/ test 0: 9_9-keto-1H_9-keto_form_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 9_9-keto-1H_9-keto_form_1H.mnova addProperty Title=Mar09-2022.20.fid test 0: 9_9-keto-1H_9-keto_form_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-295 test 0: 9_9-keto-1H_9-keto_form_1H.mnova addProperty Comment=TM-VI-295 test 0: 9_9-keto-1H_9-keto_form_1H.mnova addProperty Origin=Bruker test 0: 9_9-keto-1H_9-keto_form_1H.mnova addProperty Instrument=spect test 0: 9_9-keto-1H_9-keto_form_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 9_9-keto-1H_9-keto_form_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.786 test 0: 9_9-keto-1H_9-keto_form_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 9_9-keto-1H_9-keto_form_1H.mnova addProperty Experiment=1D test 0: 9_9-keto-1H_9-keto_form_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 9_9-keto-1H_9-keto_form_1H.mnova addProperty Number of Scans=16 test 0: 9_9-keto-1H_9-keto_form_1H.mnova addProperty Receiver Gain=177.81 test 0: 9_9-keto-1H_9-keto_form_1H.mnova addProperty Relaxation Delay=1.0 test 0: 9_9-keto-1H_9-keto_form_1H.mnova addProperty Pulse Width=11.25 test 0: 9_9-keto-1H_9-keto_form_1H.mnova addProperty Acquisition Time=2.0447233 test 0: 9_9-keto-1H_9-keto_form_1H.mnova addProperty IFD.property.dataobject.timestamp=2022-03-09T10:27:00 test 0: 9_9-keto-1H_9-keto_form_1H.mnova addProperty Acquisition Date=2022-03-09T10:27:00 test 0: 9_9-keto-1H_9-keto_form_1H.mnova addProperty Modification Date=2022-03-09T10:27:43 test 0: 9_9-keto-1H_9-keto_form_1H.mnova addProperty Spectrum Quality=0 test 0: 9_9-keto-1H_9-keto_form_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2024012 test 0: 9_9-keto-1H_9-keto_form_1H.mnova addProperty Spectral Width=8012.8205128205 test 0: 9_9-keto-1H_9-keto_form_1H.mnova addProperty Lowest Frequency=-1615.93553853627 test 0: 9_9-keto-1H_9-keto_form_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 9_9-keto-1H_9-keto_form_1H.mnova addProperty Acquired Size=16384 test 0: 9_9-keto-1H_9-keto_form_1H.mnova addProperty Spectral Size=65536 test 0: 9_9-keto-1H_9-keto_form_1H.mnova addProperty Digital Resolution=0.122265938000801 test 0: 9_9-keto-1H_9-keto_form_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 9_9-keto-1H_9-keto_form_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 9_9-keto-1H_9-keto_form_1H.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 9/9-keto-1H/9-keto form 1H.zip|20/ test 0: Phase 2.1 checking zip directory: 9 9/9-keto-1H/9-keto form 1H.zip|20/pdata/ test 0: Phase 2.1 checking zip directory: 10 9/9-keto-1H/9-keto form 1H.zip|20/pdata/1/ test 0: !rezip pattern found 9/9-keto-1H/9-keto form 1H.zip|20/ [IFDRepresentation type=null ref=[IFDReference Archive::9/9-keto-1H/9-keto form 1H.zip|20/ :as::9_9-keto-1H_9-keto_form_1H.zip..20.zip]] test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty Title=Jan13-2022.11.ser test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-221 cosy test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty Comment=TM-VI-221 cosy test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty Origin=Bruker test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty Instrument=spect test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.7496 test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=cosygpqf test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty Experiment=COSY test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty Number of Scans=4 test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty Receiver Gain=32.31 test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty Relaxation Delay=1.0 test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty Pulse Width=11.0 test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty Acquisition Time=0.10649599999999994 test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty IFD.property.dataobject.timestamp=2022-01-13T15:44:45 test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty Acquisition Date=2022-01-13T15:44:45 test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty Modification Date=2022-01-13T15:54:21 test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty Spectrum Quality=0 test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.3220016 test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.3220016 test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty Spectral Width=4807.69230769229 test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty Lowest Frequency=-402.2461538179 test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty Acquired Size=512 test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty Spectral Size=512 test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty Digital Resolution=9.3900240384615 test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 9_9-enol-cosy_9-enol_form_cosy.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 9/9-enol-cosy/9-enol form cosy.zip|11/ test 0: Phase 2.1 checking zip directory: 10 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/ test 0: Phase 2.1 checking zip directory: 11 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/1/ test 0: !rezip pattern found 9/9-enol-cosy/9-enol form cosy.zip|11/ [IFDRepresentation type=null ref=[IFDReference Archive::9/9-enol-cosy/9-enol form cosy.zip|11/ :as::9_9-enol-cosy_9-enol_form_cosy.zip..11.zip]] test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty Title=Jan13-2022.12.ser test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-221 hmqc test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty Comment=TM-VI-221 hmqc test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty Origin=Bruker test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty Instrument=spect test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.7403 test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmqcgpqf test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty Experiment=HMQC test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty Number of Scans=4 test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty Receiver Gain=199.76 test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty Relaxation Delay=1.3 test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty Pulse Width=11.0 test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty Acquisition Time=0.10649599999999994 test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty IFD.property.dataobject.timestamp=2022-01-13T15:55:46 test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty Acquisition Date=2022-01-13T15:55:46 test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty Modification Date=2022-01-13T16:07:52 test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty Spectrum Quality=0 test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.66910027425 test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.3220016 test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty Spectral Width=4807.69230769229 test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty Lowest Frequency=-402.2461538179 test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty Acquired Size=512 test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty Spectral Size=512 test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty Digital Resolution=9.3900240384615 test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 9_9-enol-HMQC_9-enol_form_hmqc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 9/9-enol-1H/9-enol form 1H.zip|10/ test 0: Phase 2.1 checking zip directory: 9 9/9-enol-1H/9-enol form 1H.zip|10/pdata/ test 0: Phase 2.1 checking zip directory: 10 9/9-enol-1H/9-enol form 1H.zip|10/pdata/1/ test 0: !rezip pattern found 9/9-enol-1H/9-enol form 1H.zip|10/ [IFDRepresentation type=null ref=[IFDReference Archive::9/9-enol-1H/9-enol form 1H.zip|10/ :as::9_9-enol-1H_9-enol_form_1H.zip..10.zip]] test 0: 9_9-enol-1H_9-enol_form_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 9_9-enol-1H_9-enol_form_1H.mnova addProperty Title=Jan12-2022.10.fid test 0: 9_9-enol-1H_9-enol_form_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-221 test 0: 9_9-enol-1H_9-enol_form_1H.mnova addProperty Comment=TM-VI-221 test 0: 9_9-enol-1H_9-enol_form_1H.mnova addProperty Origin=Bruker test 0: 9_9-enol-1H_9-enol_form_1H.mnova addProperty Instrument=spect test 0: 9_9-enol-1H_9-enol_form_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 9_9-enol-1H_9-enol_form_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.4849 test 0: 9_9-enol-1H_9-enol_form_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 9_9-enol-1H_9-enol_form_1H.mnova addProperty Experiment=1D test 0: 9_9-enol-1H_9-enol_form_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 9_9-enol-1H_9-enol_form_1H.mnova addProperty Number of Scans=16 test 0: 9_9-enol-1H_9-enol_form_1H.mnova addProperty Receiver Gain=19.88 test 0: 9_9-enol-1H_9-enol_form_1H.mnova addProperty Relaxation Delay=1.0 test 0: 9_9-enol-1H_9-enol_form_1H.mnova addProperty Pulse Width=11.25 test 0: 9_9-enol-1H_9-enol_form_1H.mnova addProperty Acquisition Time=2.0447233 test 0: 9_9-enol-1H_9-enol_form_1H.mnova addProperty IFD.property.dataobject.timestamp=2022-01-12T11:03:00 test 0: 9_9-enol-1H_9-enol_form_1H.mnova addProperty Acquisition Date=2022-01-12T11:03:00 test 0: 9_9-enol-1H_9-enol_form_1H.mnova addProperty Modification Date=2022-01-12T11:03:25 test 0: 9_9-enol-1H_9-enol_form_1H.mnova addProperty Spectrum Quality=0 test 0: 9_9-enol-1H_9-enol_form_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2024012 test 0: 9_9-enol-1H_9-enol_form_1H.mnova addProperty Spectral Width=8012.8205128205 test 0: 9_9-enol-1H_9-enol_form_1H.mnova addProperty Lowest Frequency=-1610.3327792123 test 0: 9_9-enol-1H_9-enol_form_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 9_9-enol-1H_9-enol_form_1H.mnova addProperty Acquired Size=16384 test 0: 9_9-enol-1H_9-enol_form_1H.mnova addProperty Spectral Size=65536 test 0: 9_9-enol-1H_9-enol_form_1H.mnova addProperty Digital Resolution=0.122265938000801 test 0: 9_9-enol-1H_9-enol_form_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 9_9-enol-1H_9-enol_form_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 9_9-enol-1H_9-enol_form_1H.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 9/9-keto-13C/9-keto form 13C.zip|21/ test 0: Phase 2.1 checking zip directory: 10 9/9-keto-13C/9-keto form 13C.zip|21/pdata/ test 0: Phase 2.1 checking zip directory: 11 9/9-keto-13C/9-keto form 13C.zip|21/pdata/1/ test 0: !rezip pattern found 9/9-keto-13C/9-keto form 13C.zip|21/ [IFDRepresentation type=null ref=[IFDReference Archive::9/9-keto-13C/9-keto form 13C.zip|21/ :as::9_9-keto-13C_9-keto_form_13C.zip..21.zip]] test 0: 9_9-keto-13C_9-keto_form_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 9_9-keto-13C_9-keto_form_13C.mnova addProperty Title=Mar09-2022.21.fid test 0: 9_9-keto-13C_9-keto_form_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-295 13C test 0: 9_9-keto-13C_9-keto_form_13C.mnova addProperty Comment=TM-VI-295 13C test 0: 9_9-keto-13C_9-keto_form_13C.mnova addProperty Origin=Bruker test 0: 9_9-keto-13C_9-keto_form_13C.mnova addProperty Instrument=spect test 0: 9_9-keto-13C_9-keto_form_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 9_9-keto-13C_9-keto_form_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.906 test 0: 9_9-keto-13C_9-keto_form_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 9_9-keto-13C_9-keto_form_13C.mnova addProperty Experiment=1D test 0: 9_9-keto-13C_9-keto_form_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 9_9-keto-13C_9-keto_form_13C.mnova addProperty Number of Scans=1200 test 0: 9_9-keto-13C_9-keto_form_13C.mnova addProperty Receiver Gain=199.33 test 0: 9_9-keto-13C_9-keto_form_13C.mnova addProperty Relaxation Delay=1.0 test 0: 9_9-keto-13C_9-keto_form_13C.mnova addProperty Pulse Width=9.05 test 0: 9_9-keto-13C_9-keto_form_13C.mnova addProperty Acquisition Time=0.5767168 test 0: 9_9-keto-13C_9-keto_form_13C.mnova addProperty IFD.property.dataobject.timestamp=2022-03-09T22:57:00 test 0: 9_9-keto-13C_9-keto_form_13C.mnova addProperty Acquisition Date=2022-03-09T22:57:00 test 0: 9_9-keto-13C_9-keto_form_13C.mnova addProperty Modification Date=2022-03-09T22:57:31 test 0: 9_9-keto-13C_9-keto_form_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.641439460712 test 0: 9_9-keto-13C_9-keto_form_13C.mnova addProperty Spectrum Quality=0 test 0: 9_9-keto-13C_9-keto_form_13C.mnova addProperty Spectral Width=28409.090909091 test 0: 9_9-keto-13C_9-keto_form_13C.mnova addProperty Lowest Frequency=-3122.96978079404 test 0: 9_9-keto-13C_9-keto_form_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 9_9-keto-13C_9-keto_form_13C.mnova addProperty Acquired Size=16384 test 0: 9_9-keto-13C_9-keto_form_13C.mnova addProperty Spectral Size=65536 test 0: 9_9-keto-13C_9-keto_form_13C.mnova addProperty Digital Resolution=0.433488325639206 test 0: 9_9-keto-13C_9-keto_form_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 9_9-keto-13C_9-keto_form_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 9_9-keto-13C_9-keto_form_13C.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 9_9-enol-13C_9-enol_form_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 9_9-enol-13C_9-enol_form_13C.mnova addProperty Title=Jan13-2022.13.fid test 0: 9_9-enol-13C_9-enol_form_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-221 13C test 0: 9_9-enol-13C_9-enol_form_13C.mnova addProperty Comment=TM-VI-221 13C test 0: 9_9-enol-13C_9-enol_form_13C.mnova addProperty Origin=Bruker test 0: 9_9-enol-13C_9-enol_form_13C.mnova addProperty Instrument=spect test 0: 9_9-enol-13C_9-enol_form_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 9_9-enol-13C_9-enol_form_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.8601 test 0: 9_9-enol-13C_9-enol_form_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 9_9-enol-13C_9-enol_form_13C.mnova addProperty Experiment=1D test 0: 9_9-enol-13C_9-enol_form_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 9_9-enol-13C_9-enol_form_13C.mnova addProperty Number of Scans=1200 test 0: 9_9-enol-13C_9-enol_form_13C.mnova addProperty Receiver Gain=199.76 test 0: 9_9-enol-13C_9-enol_form_13C.mnova addProperty Relaxation Delay=1.0 test 0: 9_9-enol-13C_9-enol_form_13C.mnova addProperty Pulse Width=9.8 test 0: 9_9-enol-13C_9-enol_form_13C.mnova addProperty Acquisition Time=0.5767168 test 0: 9_9-enol-13C_9-enol_form_13C.mnova addProperty IFD.property.dataobject.timestamp=2022-01-13T22:22:00 test 0: 9_9-enol-13C_9-enol_form_13C.mnova addProperty Acquisition Date=2022-01-13T22:22:00 test 0: 9_9-enol-13C_9-enol_form_13C.mnova addProperty Modification Date=2022-01-13T22:22:13 test 0: 9_9-enol-13C_9-enol_form_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.671616787854 test 0: 9_9-enol-13C_9-enol_form_13C.mnova addProperty Spectrum Quality=0 test 0: 9_9-enol-13C_9-enol_form_13C.mnova addProperty Spectral Width=28409.090909091 test 0: 9_9-enol-13C_9-enol_form_13C.mnova addProperty Lowest Frequency=-3143.32260469068 test 0: 9_9-enol-13C_9-enol_form_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 9_9-enol-13C_9-enol_form_13C.mnova addProperty Acquired Size=16384 test 0: 9_9-enol-13C_9-enol_form_13C.mnova addProperty Spectral Size=65536 test 0: 9_9-enol-13C_9-enol_form_13C.mnova addProperty Digital Resolution=0.433488325639206 test 0: 9_9-enol-13C_9-enol_form_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 9_9-enol-13C_9-enol_form_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 9_9-enol-13C_9-enol_form_13C.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 9/9-enol-13C/9-enol form 13C.zip|13/ test 0: Phase 2.1 checking zip directory: 10 9/9-enol-13C/9-enol form 13C.zip|13/pdata/ test 0: Phase 2.1 checking zip directory: 11 9/9-enol-13C/9-enol form 13C.zip|13/pdata/1/ test 0: !rezip pattern found 9/9-enol-13C/9-enol form 13C.zip|13/ [IFDRepresentation type=null ref=[IFDReference Archive::9/9-enol-13C/9-enol form 13C.zip|13/ :as::9_9-enol-13C_9-enol_form_13C.zip..13.zip]] test 0: Phase 2.1 checking zip directory: 2 9/9-enol-HMBC/9-enol form hmbc.zip|14/ test 0: Phase 2.1 checking zip directory: 10 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/ test 0: Phase 2.1 checking zip directory: 11 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/1/ test 0: !rezip pattern found 9/9-enol-HMBC/9-enol form hmbc.zip|14/ [IFDRepresentation type=null ref=[IFDReference Archive::9/9-enol-HMBC/9-enol form hmbc.zip|14/ :as::9_9-enol-HMBC_9-enol_form_hmbc.zip..14.zip]] test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty Title=Jan13-2022.14.ser test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-221 hmbc test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty Comment=TM-VI-221 hmbc test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty Origin=Bruker test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty Instrument=spect test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.5049 test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty Experiment=HMBC test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty Number of Scans=8 test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty Receiver Gain=199.76 test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty Relaxation Delay=1.0 test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty Pulse Width=11.0 test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty Acquisition Time=0.08519680000000006 test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty IFD.property.dataobject.timestamp=2022-01-13T22:23:27 test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty Acquisition Date=2022-01-13T22:23:27 test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty Modification Date=2022-01-13T22:43:07 test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty Spectrum Quality=0 test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.672623393296 test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.32280224 test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty Spectral Width=6009.61538461538 test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty Lowest Frequency=-202.56769231362 test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty Acquired Size=512 test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty Spectral Size=512 test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty Digital Resolution=11.7375300480769 test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 9_9-enol-HMBC_9-enol_form_hmbc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 159 10/ test 0: Phase 2.1 checking zip directory: 160 10/10-cosy in CDCl3/ test 0: Phase 2.1 checking zip directory: 162 10/10-IR/ test 0: Phase 2.1 checking zip directory: 163 10/10-1H in CD3OD/ test 0: Phase 2.1 checking zip directory: 164 10/10-1H in CDCl3/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 23 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 23 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: Phase 2.1 checking zip directory: 167 10/10-13C in CDCl3/ test 0: Phase 2.1 checking zip directory: 169 10/10-13C in CD3OD/ test 0: Phase 2.1 checking zip directory: 170 10/10-hmbc in CDCl3/ test 0: Phase 2.1 checking zip directory: 172 10/10-hmqc in CDCl3/ test 0: Phase 2.1 checking zip directory: 173 10/10-hsqc in CDCl3/ test 0: 10_10-hmqc_in_CDCl3_10-hmqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 10_10-hmqc_in_CDCl3_10-hmqc_in_CDCl3.mnova addProperty Title=Nov16-2021.52.ser test 0: 10_10-hmqc_in_CDCl3_10-hmqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-167 hmqc test 0: 10_10-hmqc_in_CDCl3_10-hmqc_in_CDCl3.mnova addProperty Comment=TM-VI-167 hmqc test 0: 10_10-hmqc_in_CDCl3_10-hmqc_in_CDCl3.mnova addProperty Origin=Bruker test 0: 10_10-hmqc_in_CDCl3_10-hmqc_in_CDCl3.mnova addProperty Instrument=spect test 0: 10_10-hmqc_in_CDCl3_10-hmqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 10_10-hmqc_in_CDCl3_10-hmqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.2665 test 0: 10_10-hmqc_in_CDCl3_10-hmqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmqcgpqf test 0: 10_10-hmqc_in_CDCl3_10-hmqc_in_CDCl3.mnova addProperty Experiment=HMQC test 0: 10_10-hmqc_in_CDCl3_10-hmqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 10_10-hmqc_in_CDCl3_10-hmqc_in_CDCl3.mnova addProperty Number of Scans=4 test 0: 10_10-hmqc_in_CDCl3_10-hmqc_in_CDCl3.mnova addProperty Receiver Gain=207.33 test 0: 10_10-hmqc_in_CDCl3_10-hmqc_in_CDCl3.mnova addProperty Relaxation Delay=1.0 test 0: 10_10-hmqc_in_CDCl3_10-hmqc_in_CDCl3.mnova addProperty Pulse Width=11.25 test 0: 10_10-hmqc_in_CDCl3_10-hmqc_in_CDCl3.mnova addProperty Acquisition Time=0.10649599999999994 test 0: 10_10-hmqc_in_CDCl3_10-hmqc_in_CDCl3.mnova addProperty IFD.property.dataobject.timestamp=2021-11-16T18:32:26 test 0: 10_10-hmqc_in_CDCl3_10-hmqc_in_CDCl3.mnova addProperty Acquisition Date=2021-11-16T18:32:26 test 0: 10_10-hmqc_in_CDCl3_10-hmqc_in_CDCl3.mnova addProperty Modification Date=2021-11-16T18:42:00 test 0: 10_10-hmqc_in_CDCl3_10-hmqc_in_CDCl3.mnova addProperty Spectrum Quality=0 test 0: 10_10-hmqc_in_CDCl3_10-hmqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.692234813598 test 0: 10_10-hmqc_in_CDCl3_10-hmqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41200205 test 0: 10_10-hmqc_in_CDCl3_10-hmqc_in_CDCl3.mnova addProperty Spectral Width=4807.69230769231 test 0: 10_10-hmqc_in_CDCl3_10-hmqc_in_CDCl3.mnova addProperty Lowest Frequency=-401.796153858833 test 0: 10_10-hmqc_in_CDCl3_10-hmqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 10_10-hmqc_in_CDCl3_10-hmqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 10_10-hmqc_in_CDCl3_10-hmqc_in_CDCl3.mnova addProperty Acquired Size=512 test 0: 10_10-hmqc_in_CDCl3_10-hmqc_in_CDCl3.mnova addProperty Spectral Size=512 test 0: 10_10-hmqc_in_CDCl3_10-hmqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 10_10-hmqc_in_CDCl3_10-hmqc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 10_10-hmqc_in_CDCl3_10-hmqc_in_CDCl3.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.mnova addProperty Title=Nov16-2021.54.ser test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-167 hmbc test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.mnova addProperty Comment=TM-VI-167 hmbc test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.mnova addProperty Origin=Bruker test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.mnova addProperty Instrument=spect test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.8151 test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.mnova addProperty Experiment=HMBC test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.mnova addProperty Number of Scans=8 test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.mnova addProperty Receiver Gain=207.33 test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.mnova addProperty Relaxation Delay=1.0 test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.mnova addProperty Pulse Width=11.25 test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.mnova addProperty Acquisition Time=0.08519680000000006 test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.timestamp=2021-11-17T00:38:06 test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.mnova addProperty Acquisition Date=2021-11-17T00:38:06 test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.mnova addProperty Modification Date=2021-11-17T00:57:46 test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.mnova addProperty Spectrum Quality=0 test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.6952553088 test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41280287 test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.mnova addProperty Spectral Width=6009.61538461538 test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.mnova addProperty Lowest Frequency=-201.937692325443 test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.mnova addProperty Acquired Size=512 test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.mnova addProperty Spectral Size=512 test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/ test 0: Phase 2.1 checking zip directory: 9 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/ test 0: Phase 2.1 checking zip directory: 10 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/1/ test 0: !rezip pattern found 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/ [IFDRepresentation type=null ref=[IFDReference Archive::10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/ :as::10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.zip..54.zip]] test 0: Phase 2.1 checking zip directory: 2 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/ test 0: Phase 2.1 checking zip directory: 9 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/ test 0: Phase 2.1 checking zip directory: 10 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/1/ test 0: !rezip pattern found 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/ [IFDRepresentation type=null ref=[IFDReference Archive::10/10-13C in CD3OD/10-13C in CD3OD.zip|41/ :as::10_10-13C_in_CD3OD_10-13C_in_CD3OD.zip..41.zip]] test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.mnova addProperty Title=Jul23-2022.41.fid test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-285, Bz-pyr, CD3OD 13C test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.mnova addProperty Comment=TM-VI-285, Bz-pyr, CD3OD 13C test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.mnova addProperty Origin=Bruker test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.mnova addProperty Instrument=spect test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.0579 test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.mnova addProperty Experiment=1D test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.mnova addProperty Number of Scans=480 test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.mnova addProperty Receiver Gain=207.33 test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.mnova addProperty Relaxation Delay=1.0 test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.mnova addProperty Pulse Width=9.6 test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.mnova addProperty Acquisition Time=0.622592 test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.timestamp=2022-07-23T17:30:00 test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.mnova addProperty Acquisition Date=2022-07-23T17:30:00 test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.mnova addProperty Modification Date=2022-07-23T17:30:23 test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.694248477066 test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.mnova addProperty Spectrum Quality=0 test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.mnova addProperty Spectral Width=26315.7894736842 test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.mnova addProperty Lowest Frequency=-1944.60579650973 test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.mnova addProperty Acquired Size=16384 test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.mnova addProperty Spectral Size=65536 test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.mnova addProperty Digital Resolution=0.401547080592105 test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.mnova addProperty Title=Nov16-2021.53.fid test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-167 13C test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.mnova addProperty Comment=TM-VI-167 13C test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.mnova addProperty Origin=Bruker test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.mnova addProperty Instrument=spect test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.0726 test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.mnova addProperty Experiment=1D test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.mnova addProperty Number of Scans=1200 test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.mnova addProperty Receiver Gain=207.33 test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.mnova addProperty Relaxation Delay=1.0 test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.mnova addProperty Pulse Width=9.6 test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.mnova addProperty Acquisition Time=0.622592 test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.timestamp=2021-11-17T00:37:00 test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.mnova addProperty Acquisition Date=2021-11-17T00:37:00 test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.mnova addProperty Modification Date=2021-11-17T00:37:28 test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.694248477066 test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.mnova addProperty Spectrum Quality=0 test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.mnova addProperty Spectral Width=26315.7894736842 test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.mnova addProperty Lowest Frequency=-2072.39702726825 test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.mnova addProperty Acquired Size=16384 test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.mnova addProperty Spectral Size=65536 test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/ test 0: Phase 2.1 checking zip directory: 9 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/ test 0: Phase 2.1 checking zip directory: 10 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/1/ test 0: !rezip pattern found 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/ [IFDRepresentation type=null ref=[IFDReference Archive::10/10-13C in CDCl3/10-13C in CDCl3.zip|53/ :as::10_10-13C_in_CDCl3_10-13C_in_CDCl3.zip..53.zip]] test 0: Phase 2.1 checking zip directory: 2 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/ test 0: Phase 2.1 checking zip directory: 8 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/ test 0: Phase 2.1 checking zip directory: 9 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/1/ test 0: !rezip pattern found 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/ [IFDRepresentation type=null ref=[IFDReference Archive::10/10-1H in CDCl3/10-1H in CDCl3.zip|50/ :as::10_10-1H_in_CDCl3_10-1H_in_CDCl3.zip..50.zip]] test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.mnova addProperty Title=Nov16-2021.50.fid test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-167 test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.mnova addProperty Comment=TM-VI-167 test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.mnova addProperty Origin=Bruker test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.mnova addProperty Instrument=spect test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.2077 test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.mnova addProperty Experiment=1D test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.mnova addProperty Number of Scans=16 test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.mnova addProperty Receiver Gain=207.33 test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.mnova addProperty Relaxation Delay=1.0 test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.mnova addProperty Pulse Width=11.25 test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.mnova addProperty Acquisition Time=2.0447233 test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.timestamp=2021-11-16T16:20:00 test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.mnova addProperty Acquisition Date=2021-11-16T16:20:00 test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.mnova addProperty Modification Date=2021-11-16T16:20:34 test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41240246 test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.mnova addProperty Spectrum Quality=0 test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.mnova addProperty Spectral Width=8012.82051282051 test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.mnova addProperty Lowest Frequency=-1615.64214354237 test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.mnova addProperty Acquired Size=16384 test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.mnova addProperty Spectral Size=65536 test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/ test 0: Phase 2.1 checking zip directory: 8 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/ test 0: Phase 2.1 checking zip directory: 9 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/1/ test 0: !rezip pattern found 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/ [IFDRepresentation type=null ref=[IFDReference Archive::10/10-1H in CD3OD/10-1H in CD3OD.zip|40/ :as::10_10-1H_in_CD3OD_10-1H_in_CD3OD.zip..40.zip]] test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.mnova addProperty Title=Jul23-2022.40.fid test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-285, Bz-pyr, CD3OD test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.mnova addProperty Comment=TM-VI-285, Bz-pyr, CD3OD test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.mnova addProperty Origin=Bruker test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.mnova addProperty Instrument=spect test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.4547 test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.mnova addProperty Experiment=1D test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.mnova addProperty Number of Scans=16 test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.mnova addProperty Receiver Gain=142.31 test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.mnova addProperty Relaxation Delay=1.0 test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.mnova addProperty Pulse Width=11.25 test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.mnova addProperty Acquisition Time=2.0447233 test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.timestamp=2022-07-23T17:16:00 test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.mnova addProperty Acquisition Date=2022-07-23T17:16:00 test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.mnova addProperty Modification Date=2022-07-23T17:16:41 test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.mnova addProperty Spectrum Quality=0 test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41240246 test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.mnova addProperty Spectral Width=8012.82051282051 test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.mnova addProperty Lowest Frequency=-1613.64014635193 test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.mnova addProperty Acquired Size=16384 test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.mnova addProperty Spectral Size=65536 test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.mnova addProperty Digital Resolution=0.122265938000801 test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.mnova addProperty Title=Nov16-2021.51.ser test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-167 cosy test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.mnova addProperty Comment=TM-VI-167 cosy test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.mnova addProperty Origin=Bruker test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.mnova addProperty Instrument=spect test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.2001 test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=cosygpqf test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.mnova addProperty Experiment=COSY test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.mnova addProperty Number of Scans=4 test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.mnova addProperty Receiver Gain=207.33 test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.mnova addProperty Relaxation Delay=1.0 test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.mnova addProperty Pulse Width=11.25 test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.mnova addProperty Acquisition Time=0.10649599999999994 test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.mnova addProperty IFD.property.dataobject.timestamp=2021-11-16T18:08:45 test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.mnova addProperty Acquisition Date=2021-11-16T18:08:45 test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.mnova addProperty Modification Date=2021-11-16T18:17:44 test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.mnova addProperty Spectrum Quality=0 test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.41200205 test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41200205 test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.mnova addProperty Spectral Width=4807.69230769231 test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.mnova addProperty Lowest Frequency=-401.796153858833 test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.mnova addProperty Acquired Size=512 test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.mnova addProperty Spectral Size=512 test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/ test 0: Phase 2.1 checking zip directory: 10 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/ test 0: Phase 2.1 checking zip directory: 11 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/1/ test 0: !rezip pattern found 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/ [IFDRepresentation type=null ref=[IFDReference Archive::10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/ :as::10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.zip..51.zip]] test 0: Phase 2.1 checking zip directory: 203 11/ test 0: Phase 2.1 checking zip directory: 204 11/11-IR/ test 0: Phase 2.1 checking zip directory: 205 11/11-1H/ test 0: Phase 2.1 checking zip directory: 206 11/11-cosy/ test 0: Phase 2.1 checking zip directory: 209 11/11-hsqc/ test 0: Phase 2.1 checking zip directory: 210 11/11-X-ray/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: Na An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 27 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 27 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 2 ms test 0: Phase 2.1 checking zip directory: 213 11/11-hmbc/ test 0: Phase 2.1 checking zip directory: 215 11/11-13C/ test 0: Phase 2.1 checking zip directory: 2 11/11-13C/11-13C.zip|63/ test 0: Phase 2.1 checking zip directory: 10 11/11-13C/11-13C.zip|63/pdata/ test 0: Phase 2.1 checking zip directory: 11 11/11-13C/11-13C.zip|63/pdata/1/ test 0: !rezip pattern found 11/11-13C/11-13C.zip|63/ [IFDRepresentation type=null ref=[IFDReference Archive::11/11-13C/11-13C.zip|63/ :as::11_11-13C_11-13C.zip..63.zip]] test 0: 11_11-13C_11-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 11_11-13C_11-13C.mnova addProperty Title=Jan24-2022.63.fid test 0: 11_11-13C_11-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-251, Na+PMB-pyr 13C test 0: 11_11-13C_11-13C.mnova addProperty Comment=TM-VI-251, Na+PMB-pyr 13C test 0: 11_11-13C_11-13C.mnova addProperty Origin=Bruker test 0: 11_11-13C_11-13C.mnova addProperty Instrument=spect test 0: 11_11-13C_11-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 11_11-13C_11-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=296.0438 test 0: 11_11-13C_11-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 11_11-13C_11-13C.mnova addProperty Experiment=1D test 0: 11_11-13C_11-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 11_11-13C_11-13C.mnova addProperty Number of Scans=1200 test 0: 11_11-13C_11-13C.mnova addProperty Receiver Gain=199.33 test 0: 11_11-13C_11-13C.mnova addProperty Relaxation Delay=1.0 test 0: 11_11-13C_11-13C.mnova addProperty Pulse Width=9.05 test 0: 11_11-13C_11-13C.mnova addProperty Acquisition Time=0.5767168 test 0: 11_11-13C_11-13C.mnova addProperty IFD.property.dataobject.timestamp=2022-01-24T23:05:00 test 0: 11_11-13C_11-13C.mnova addProperty Acquisition Date=2022-01-24T23:05:00 test 0: 11_11-13C_11-13C.mnova addProperty Modification Date=2022-01-24T23:05:38 test 0: 11_11-13C_11-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.641439460712 test 0: 11_11-13C_11-13C.mnova addProperty Spectrum Quality=0 test 0: 11_11-13C_11-13C.mnova addProperty Spectral Width=28409.090909091 test 0: 11_11-13C_11-13C.mnova addProperty Lowest Frequency=-2994.39025324757 test 0: 11_11-13C_11-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 11_11-13C_11-13C.mnova addProperty Acquired Size=16384 test 0: 11_11-13C_11-13C.mnova addProperty Spectral Size=65536 test 0: 11_11-13C_11-13C.mnova addProperty Digital Resolution=0.433488325639206 test 0: 11_11-13C_11-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 11_11-13C_11-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 11_11-13C_11-13C.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 11/11-hmbc/11-hmbc.zip|64/ test 0: Phase 2.1 checking zip directory: 9 11/11-hmbc/11-hmbc.zip|64/pdata/ test 0: Phase 2.1 checking zip directory: 10 11/11-hmbc/11-hmbc.zip|64/pdata/1/ test 0: !rezip pattern found 11/11-hmbc/11-hmbc.zip|64/ [IFDRepresentation type=null ref=[IFDReference Archive::11/11-hmbc/11-hmbc.zip|64/ :as::11_11-hmbc_11-hmbc.zip..64.zip]] test 0: 11_11-hmbc_11-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 11_11-hmbc_11-hmbc.mnova addProperty Title=Jan24-2022.64.ser test 0: 11_11-hmbc_11-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-251, Na+PMB-pyr hmbc test 0: 11_11-hmbc_11-hmbc.mnova addProperty Comment=TM-VI-251, Na+PMB-pyr hmbc test 0: 11_11-hmbc_11-hmbc.mnova addProperty Origin=Bruker test 0: 11_11-hmbc_11-hmbc.mnova addProperty Instrument=spect test 0: 11_11-hmbc_11-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 11_11-hmbc_11-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.7851 test 0: 11_11-hmbc_11-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 11_11-hmbc_11-hmbc.mnova addProperty Experiment=HMBC test 0: 11_11-hmbc_11-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 11_11-hmbc_11-hmbc.mnova addProperty Number of Scans=8 test 0: 11_11-hmbc_11-hmbc.mnova addProperty Receiver Gain=199.33 test 0: 11_11-hmbc_11-hmbc.mnova addProperty Relaxation Delay=1.0 test 0: 11_11-hmbc_11-hmbc.mnova addProperty Pulse Width=11.25 test 0: 11_11-hmbc_11-hmbc.mnova addProperty Acquisition Time=0.08519680000000006 test 0: 11_11-hmbc_11-hmbc.mnova addProperty IFD.property.dataobject.timestamp=2022-01-24T23:06:14 test 0: 11_11-hmbc_11-hmbc.mnova addProperty Acquisition Date=2022-01-24T23:06:14 test 0: 11_11-hmbc_11-hmbc.mnova addProperty Modification Date=2022-01-24T23:25:54 test 0: 11_11-hmbc_11-hmbc.mnova addProperty Spectrum Quality=0 test 0: 11_11-hmbc_11-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.642445764415 test 0: 11_11-hmbc_11-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2028014 test 0: 11_11-hmbc_11-hmbc.mnova addProperty Spectral Width=6009.6153846154 test 0: 11_11-hmbc_11-hmbc.mnova addProperty Lowest Frequency=-202.687334682247 test 0: 11_11-hmbc_11-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 11_11-hmbc_11-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 11_11-hmbc_11-hmbc.mnova addProperty Acquired Size=512 test 0: 11_11-hmbc_11-hmbc.mnova addProperty Spectral Size=512 test 0: 11_11-hmbc_11-hmbc.mnova addProperty Digital Resolution=11.737530048077 test 0: 11_11-hmbc_11-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 11_11-hmbc_11-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 11_11-hmbc_11-hmbc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C28 H35 N4 Na O10 test 0: !Jmol Setting space group name to 15 test 0: !Jmol Setting space group name to HM:I 2/a test 0: !Jmol Setting space group name to Hall:-I 2ya test 0: !Jmol AB2238 test 0: !Jmol 27 bonds read test 0: !Jmol CIF creating molecule for 319 atoms using GEOM_BOND records test 0: !Jmol reading 159 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 159 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 10 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C28 H35 N4 Na O10 test 0: !Jmol Setting space group name to 15 test 0: !Jmol Setting space group name to HM:I 2/a test 0: !Jmol Setting space group name to Hall:-I 2ya test 0: !Jmol AB2238 test 0: !Jmol reading 379 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 379 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 4 ms test 0: 11_11-hsqc_11-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 11_11-hsqc_11-hsqc.mnova addProperty Title=Jan24-2022.62.ser test 0: 11_11-hsqc_11-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-251, Na+PMB-pyr hsqc test 0: 11_11-hsqc_11-hsqc.mnova addProperty Comment=TM-VI-251, Na+PMB-pyr hsqc test 0: 11_11-hsqc_11-hsqc.mnova addProperty Origin=Bruker test 0: 11_11-hsqc_11-hsqc.mnova addProperty Instrument=spect test 0: 11_11-hsqc_11-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 11_11-hsqc_11-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.5302 test 0: 11_11-hsqc_11-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hsqcetgpsi2.ph test 0: 11_11-hsqc_11-hsqc.mnova addProperty Experiment=HSQC test 0: 11_11-hsqc_11-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 11_11-hsqc_11-hsqc.mnova addProperty Number of Scans=2 test 0: 11_11-hsqc_11-hsqc.mnova addProperty Receiver Gain=199.33 test 0: 11_11-hsqc_11-hsqc.mnova addProperty Relaxation Delay=1.0 test 0: 11_11-hsqc_11-hsqc.mnova addProperty Pulse Width=11.25 test 0: 11_11-hsqc_11-hsqc.mnova addProperty Acquisition Time=0.1142784 test 0: 11_11-hsqc_11-hsqc.mnova addProperty IFD.property.dataobject.timestamp=2022-01-24T17:55:00 test 0: 11_11-hsqc_11-hsqc.mnova addProperty Acquisition Date=2022-01-24T17:55:00 test 0: 11_11-hsqc_11-hsqc.mnova addProperty Modification Date=2022-01-24T18:05:03 test 0: 11_11-hsqc_11-hsqc.mnova addProperty Spectrum Quality=0 test 0: 11_11-hsqc_11-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.641439460712 test 0: 11_11-hsqc_11-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.202001 test 0: 11_11-hsqc_11-hsqc.mnova addProperty Spectral Width=4480.28673835127 test 0: 11_11-hsqc_11-hsqc.mnova addProperty Lowest Frequency=-239.143369168609 test 0: 11_11-hsqc_11-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 11_11-hsqc_11-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 11_11-hsqc_11-hsqc.mnova addProperty Acquired Size=512 test 0: 11_11-hsqc_11-hsqc.mnova addProperty Spectral Size=512 test 0: 11_11-hsqc_11-hsqc.mnova addProperty Digital Resolution=8.75056003584232 test 0: 11_11-hsqc_11-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 11_11-hsqc_11-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 11_11-hsqc_11-hsqc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 11_11-1H_11-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 11_11-1H_11-1H.mnova addProperty Title=Jan24-2022.60.fid test 0: 11_11-1H_11-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-251, Na+PMB-pyr test 0: 11_11-1H_11-1H.mnova addProperty Comment=TM-VI-251, Na+PMB-pyr test 0: 11_11-1H_11-1H.mnova addProperty Origin=Bruker test 0: 11_11-1H_11-1H.mnova addProperty Instrument=spect test 0: 11_11-1H_11-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 11_11-1H_11-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.5767 test 0: 11_11-1H_11-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 11_11-1H_11-1H.mnova addProperty Experiment=1D test 0: 11_11-1H_11-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 11_11-1H_11-1H.mnova addProperty Number of Scans=16 test 0: 11_11-1H_11-1H.mnova addProperty Receiver Gain=199.33 test 0: 11_11-1H_11-1H.mnova addProperty Relaxation Delay=1.0 test 0: 11_11-1H_11-1H.mnova addProperty Pulse Width=11.25 test 0: 11_11-1H_11-1H.mnova addProperty Acquisition Time=2.0447233 test 0: 11_11-1H_11-1H.mnova addProperty IFD.property.dataobject.timestamp=2022-01-24T17:11:00 test 0: 11_11-1H_11-1H.mnova addProperty Acquisition Date=2022-01-24T17:11:00 test 0: 11_11-1H_11-1H.mnova addProperty Modification Date=2022-01-24T17:11:41 test 0: 11_11-1H_11-1H.mnova addProperty Spectrum Quality=0 test 0: 11_11-1H_11-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2024012 test 0: 11_11-1H_11-1H.mnova addProperty Spectral Width=8012.8205128205 test 0: 11_11-1H_11-1H.mnova addProperty Lowest Frequency=-1613.05415043853 test 0: 11_11-1H_11-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 11_11-1H_11-1H.mnova addProperty Acquired Size=16384 test 0: 11_11-1H_11-1H.mnova addProperty Spectral Size=65536 test 0: 11_11-1H_11-1H.mnova addProperty Digital Resolution=0.122265938000801 test 0: 11_11-1H_11-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 11_11-1H_11-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 11_11-1H_11-1H.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 11/11-1H/11-1H.zip|60/ test 0: Phase 2.1 checking zip directory: 9 11/11-1H/11-1H.zip|60/pdata/ test 0: Phase 2.1 checking zip directory: 10 11/11-1H/11-1H.zip|60/pdata/1/ test 0: !rezip pattern found 11/11-1H/11-1H.zip|60/ [IFDRepresentation type=null ref=[IFDReference Archive::11/11-1H/11-1H.zip|60/ :as::11_11-1H_11-1H.zip..60.zip]] test 0: Phase 2.1 checking zip directory: 238 12/ test 0: Phase 2.1 checking zip directory: 239 12/12-hmbc/ test 0: Phase 2.1 checking zip directory: 240 12/12-hsqc/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: Na An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 24 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 24 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 2 ms test 0: Phase 2.1 checking zip directory: 244 12/12-1H/ test 0: Phase 2.1 checking zip directory: 245 12/12-X-ray/ test 0: Phase 2.1 checking zip directory: 246 12/12-cosy/ test 0: Phase 2.1 checking zip directory: 247 12/12-13C/ test 0: Phase 2.1 checking zip directory: 248 12/12-IR/ test 0: Phase 2.1 checking zip directory: 2 12/12-13C/12-13C.zip|73/ test 0: Phase 2.1 checking zip directory: 9 12/12-13C/12-13C.zip|73/pdata/ test 0: Phase 2.1 checking zip directory: 10 12/12-13C/12-13C.zip|73/pdata/1/ test 0: !rezip pattern found 12/12-13C/12-13C.zip|73/ [IFDRepresentation type=null ref=[IFDReference Archive::12/12-13C/12-13C.zip|73/ :as::12_12-13C_12-13C.zip..73.zip]] test 0: 12_12-13C_12-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 12_12-13C_12-13C.mnova addProperty Title=Jan24-2022.73.fid test 0: 12_12-13C_12-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-252, Na+Ph-pyr 13C test 0: 12_12-13C_12-13C.mnova addProperty Comment=TM-VI-252, Na+Ph-pyr 13C test 0: 12_12-13C_12-13C.mnova addProperty Origin=Bruker test 0: 12_12-13C_12-13C.mnova addProperty Instrument=spect test 0: 12_12-13C_12-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 12_12-13C_12-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.9974 test 0: 12_12-13C_12-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 12_12-13C_12-13C.mnova addProperty Experiment=1D test 0: 12_12-13C_12-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 12_12-13C_12-13C.mnova addProperty Number of Scans=1200 test 0: 12_12-13C_12-13C.mnova addProperty Receiver Gain=199.33 test 0: 12_12-13C_12-13C.mnova addProperty Relaxation Delay=1.0 test 0: 12_12-13C_12-13C.mnova addProperty Pulse Width=9.05 test 0: 12_12-13C_12-13C.mnova addProperty Acquisition Time=0.5767168 test 0: 12_12-13C_12-13C.mnova addProperty IFD.property.dataobject.timestamp=2022-01-25T00:00:14 test 0: 12_12-13C_12-13C.mnova addProperty Acquisition Date=2022-01-25T00:00:14 test 0: 12_12-13C_12-13C.mnova addProperty Modification Date=2022-01-25T00:00:15 test 0: 12_12-13C_12-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.641439460712 test 0: 12_12-13C_12-13C.mnova addProperty Spectrum Quality=0 test 0: 12_12-13C_12-13C.mnova addProperty Spectral Width=28409.090909091 test 0: 12_12-13C_12-13C.mnova addProperty Lowest Frequency=-2994.63175430201 test 0: 12_12-13C_12-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 12_12-13C_12-13C.mnova addProperty Acquired Size=16384 test 0: 12_12-13C_12-13C.mnova addProperty Spectral Size=65536 test 0: 12_12-13C_12-13C.mnova addProperty Digital Resolution=0.433488325639206 test 0: 12_12-13C_12-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 12_12-13C_12-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 12_12-13C_12-13C.mnova addProperty mnovaVersion=14.1.1-24571 test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C12 H15 N2 Na O5 test 0: !Jmol Setting space group name to 161 test 0: !Jmol Setting space group name to HM:R 3 c :H test 0: !Jmol Setting space group name to Hall:R 3 -2"c test 0: !Jmol AB2120 test 0: !Jmol 28 bonds read test 0: !Jmol CIF creating molecule for 684 atoms using GEOM_BOND records test 0: !Jmol reading 75 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 75 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 5 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C12 H15 N2 Na O5 test 0: !Jmol Setting space group name to 161 test 0: !Jmol Setting space group name to HM:R 3 c :H test 0: !Jmol Setting space group name to Hall:R 3 -2"c test 0: !Jmol AB2120 test 0: !Jmol reading 770 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 770 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 32 ms test 0: 12_12-1H_12-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 12_12-1H_12-1H.mnova addProperty Title=Jan24-2022.70.fid test 0: 12_12-1H_12-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-252, Na+Ph-pyr test 0: 12_12-1H_12-1H.mnova addProperty Comment=TM-VI-252, Na+Ph-pyr test 0: 12_12-1H_12-1H.mnova addProperty Origin=Bruker test 0: 12_12-1H_12-1H.mnova addProperty Instrument=spect test 0: 12_12-1H_12-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 12_12-1H_12-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.5742 test 0: 12_12-1H_12-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 12_12-1H_12-1H.mnova addProperty Experiment=1D test 0: 12_12-1H_12-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 12_12-1H_12-1H.mnova addProperty Number of Scans=16 test 0: 12_12-1H_12-1H.mnova addProperty Receiver Gain=199.33 test 0: 12_12-1H_12-1H.mnova addProperty Relaxation Delay=1.0 test 0: 12_12-1H_12-1H.mnova addProperty Pulse Width=11.25 test 0: 12_12-1H_12-1H.mnova addProperty Acquisition Time=2.0447233 test 0: 12_12-1H_12-1H.mnova addProperty IFD.property.dataobject.timestamp=2022-01-24T17:14:00 test 0: 12_12-1H_12-1H.mnova addProperty Acquisition Date=2022-01-24T17:14:00 test 0: 12_12-1H_12-1H.mnova addProperty Modification Date=2022-01-24T17:14:22 test 0: 12_12-1H_12-1H.mnova addProperty Spectrum Quality=0 test 0: 12_12-1H_12-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2024012 test 0: 12_12-1H_12-1H.mnova addProperty Spectral Width=8012.8205128205 test 0: 12_12-1H_12-1H.mnova addProperty Lowest Frequency=-1613.014130571 test 0: 12_12-1H_12-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 12_12-1H_12-1H.mnova addProperty Acquired Size=16384 test 0: 12_12-1H_12-1H.mnova addProperty Spectral Size=65536 test 0: 12_12-1H_12-1H.mnova addProperty Digital Resolution=0.122265938000801 test 0: 12_12-1H_12-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 12_12-1H_12-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 12_12-1H_12-1H.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 12/12-1H/12-1H.zip|70/ test 0: Phase 2.1 checking zip directory: 8 12/12-1H/12-1H.zip|70/pdata/ test 0: Phase 2.1 checking zip directory: 9 12/12-1H/12-1H.zip|70/pdata/1/ test 0: !rezip pattern found 12/12-1H/12-1H.zip|70/ [IFDRepresentation type=null ref=[IFDReference Archive::12/12-1H/12-1H.zip|70/ :as::12_12-1H_12-1H.zip..70.zip]] test 0: 12_12-hsqc_12-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 12_12-hsqc_12-hsqc.mnova addProperty Title=Jan24-2022.72.ser test 0: 12_12-hsqc_12-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-252, Na+Ph-pyr hsqc test 0: 12_12-hsqc_12-hsqc.mnova addProperty Comment=TM-VI-252, Na+Ph-pyr hsqc test 0: 12_12-hsqc_12-hsqc.mnova addProperty Origin=Bruker test 0: 12_12-hsqc_12-hsqc.mnova addProperty Instrument=spect test 0: 12_12-hsqc_12-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 12_12-hsqc_12-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.5214 test 0: 12_12-hsqc_12-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hsqcetgpsi2.ph test 0: 12_12-hsqc_12-hsqc.mnova addProperty Experiment=HSQC test 0: 12_12-hsqc_12-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 12_12-hsqc_12-hsqc.mnova addProperty Number of Scans=2 test 0: 12_12-hsqc_12-hsqc.mnova addProperty Receiver Gain=199.33 test 0: 12_12-hsqc_12-hsqc.mnova addProperty Relaxation Delay=1.0 test 0: 12_12-hsqc_12-hsqc.mnova addProperty Pulse Width=11.25 test 0: 12_12-hsqc_12-hsqc.mnova addProperty Acquisition Time=0.1142784 test 0: 12_12-hsqc_12-hsqc.mnova addProperty IFD.property.dataobject.timestamp=2022-01-24T18:16:00 test 0: 12_12-hsqc_12-hsqc.mnova addProperty Acquisition Date=2022-01-24T18:16:00 test 0: 12_12-hsqc_12-hsqc.mnova addProperty Modification Date=2022-01-24T18:25:47 test 0: 12_12-hsqc_12-hsqc.mnova addProperty Spectrum Quality=0 test 0: 12_12-hsqc_12-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.641439460712 test 0: 12_12-hsqc_12-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.202001 test 0: 12_12-hsqc_12-hsqc.mnova addProperty Spectral Width=4480.28673835127 test 0: 12_12-hsqc_12-hsqc.mnova addProperty Lowest Frequency=-239.143369168609 test 0: 12_12-hsqc_12-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 12_12-hsqc_12-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 12_12-hsqc_12-hsqc.mnova addProperty Acquired Size=512 test 0: 12_12-hsqc_12-hsqc.mnova addProperty Spectral Size=512 test 0: 12_12-hsqc_12-hsqc.mnova addProperty Digital Resolution=8.75056003584232 test 0: 12_12-hsqc_12-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 12_12-hsqc_12-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 12_12-hsqc_12-hsqc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 12_12-hmbc_12-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 12_12-hmbc_12-hmbc.mnova addProperty Title=Jan24-2022.74.ser test 0: 12_12-hmbc_12-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-252, Na+Ph-pyr hmbc test 0: 12_12-hmbc_12-hmbc.mnova addProperty Comment=TM-VI-252, Na+Ph-pyr hmbc test 0: 12_12-hmbc_12-hmbc.mnova addProperty Origin=Bruker test 0: 12_12-hmbc_12-hmbc.mnova addProperty Instrument=spect test 0: 12_12-hmbc_12-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 12_12-hmbc_12-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.7487 test 0: 12_12-hmbc_12-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 12_12-hmbc_12-hmbc.mnova addProperty Experiment=HMBC test 0: 12_12-hmbc_12-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 12_12-hmbc_12-hmbc.mnova addProperty Number of Scans=8 test 0: 12_12-hmbc_12-hmbc.mnova addProperty Receiver Gain=199.33 test 0: 12_12-hmbc_12-hmbc.mnova addProperty Relaxation Delay=1.0 test 0: 12_12-hmbc_12-hmbc.mnova addProperty Pulse Width=11.25 test 0: 12_12-hmbc_12-hmbc.mnova addProperty Acquisition Time=0.08519680000000006 test 0: 12_12-hmbc_12-hmbc.mnova addProperty IFD.property.dataobject.timestamp=2022-01-25T00:00:52 test 0: 12_12-hmbc_12-hmbc.mnova addProperty Acquisition Date=2022-01-25T00:00:52 test 0: 12_12-hmbc_12-hmbc.mnova addProperty Modification Date=2022-01-25T00:20:32 test 0: 12_12-hmbc_12-hmbc.mnova addProperty Spectrum Quality=0 test 0: 12_12-hmbc_12-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.642445764415 test 0: 12_12-hmbc_12-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2028014 test 0: 12_12-hmbc_12-hmbc.mnova addProperty Spectral Width=6009.6153846154 test 0: 12_12-hmbc_12-hmbc.mnova addProperty Lowest Frequency=-203.407692297863 test 0: 12_12-hmbc_12-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 12_12-hmbc_12-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 12_12-hmbc_12-hmbc.mnova addProperty Acquired Size=512 test 0: 12_12-hmbc_12-hmbc.mnova addProperty Spectral Size=512 test 0: 12_12-hmbc_12-hmbc.mnova addProperty Digital Resolution=11.737530048077 test 0: 12_12-hmbc_12-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 12_12-hmbc_12-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 12_12-hmbc_12-hmbc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 273 14/ test 0: Phase 2.1 checking zip directory: 274 14/14-1H/ test 0: Phase 2.1 checking zip directory: 275 14/14-IR/ test 0: Phase 2.1 checking zip directory: 276 14/14-hsqc/ test 0: Phase 2.1 checking zip directory: 278 14/14-hmbc/ test 0: Phase 2.1 checking zip directory: 279 14/14-cosy/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: Na An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 12 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 12 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 0 ms test 0: Phase 2.1 checking zip directory: 282 14/14-13C/ test 0: Phase 2.1 checking zip directory: 285 14/14-X-ray/ test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C12 H15 N4 Na O6 test 0: !Jmol Setting space group name to 15 test 0: !Jmol Setting space group name to HM:I 2/a test 0: !Jmol Setting space group name to Hall:-I 2ya test 0: !Jmol AB2204 test 0: !Jmol 29 bonds read test 0: !Jmol CIF creating molecule for 304 atoms using GEOM_BOND records test 0: !Jmol reading 152 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 152 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 5 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C12 H15 N4 Na O6 test 0: !Jmol Setting space group name to 15 test 0: !Jmol Setting space group name to HM:I 2/a test 0: !Jmol Setting space group name to Hall:-I 2ya test 0: !Jmol AB2204 test 0: !Jmol reading 342 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 342 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 5 ms test 0: 14_14-13C_14-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 14_14-13C_14-13C.mnova addProperty Title=Jan24-2022.93.fid test 0: 14_14-13C_14-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-254, Na+unprotect. pyr. 13C test 0: 14_14-13C_14-13C.mnova addProperty Comment=TM-VI-254, Na+unprotect. pyr. 13C test 0: 14_14-13C_14-13C.mnova addProperty Origin=Bruker test 0: 14_14-13C_14-13C.mnova addProperty Instrument=spect test 0: 14_14-13C_14-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 14_14-13C_14-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.9758 test 0: 14_14-13C_14-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 14_14-13C_14-13C.mnova addProperty Experiment=1D test 0: 14_14-13C_14-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 14_14-13C_14-13C.mnova addProperty Number of Scans=1200 test 0: 14_14-13C_14-13C.mnova addProperty Receiver Gain=199.33 test 0: 14_14-13C_14-13C.mnova addProperty Relaxation Delay=1.0 test 0: 14_14-13C_14-13C.mnova addProperty Pulse Width=9.05 test 0: 14_14-13C_14-13C.mnova addProperty Acquisition Time=0.5767168 test 0: 14_14-13C_14-13C.mnova addProperty IFD.property.dataobject.timestamp=2022-01-25T00:54:00 test 0: 14_14-13C_14-13C.mnova addProperty Acquisition Date=2022-01-25T00:54:00 test 0: 14_14-13C_14-13C.mnova addProperty Modification Date=2022-01-25T00:54:52 test 0: 14_14-13C_14-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.641439460712 test 0: 14_14-13C_14-13C.mnova addProperty Spectrum Quality=0 test 0: 14_14-13C_14-13C.mnova addProperty Spectral Width=28409.090909091 test 0: 14_14-13C_14-13C.mnova addProperty Lowest Frequency=-2994.25944017641 test 0: 14_14-13C_14-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 14_14-13C_14-13C.mnova addProperty Acquired Size=16384 test 0: 14_14-13C_14-13C.mnova addProperty Spectral Size=65536 test 0: 14_14-13C_14-13C.mnova addProperty Digital Resolution=0.433488325639206 test 0: 14_14-13C_14-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 14_14-13C_14-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 14_14-13C_14-13C.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 14/14-13C/14-13C.zip|93/ test 0: Phase 2.1 checking zip directory: 9 14/14-13C/14-13C.zip|93/pdata/ test 0: Phase 2.1 checking zip directory: 10 14/14-13C/14-13C.zip|93/pdata/1/ test 0: !rezip pattern found 14/14-13C/14-13C.zip|93/ [IFDRepresentation type=null ref=[IFDReference Archive::14/14-13C/14-13C.zip|93/ :as::14_14-13C_14-13C.zip..93.zip]] test 0: 14_14-hmbc_14-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 14_14-hmbc_14-hmbc.mnova addProperty Title=Jan24-2022.94.ser test 0: 14_14-hmbc_14-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-254, Na+unprotect. pyr. hmbc test 0: 14_14-hmbc_14-hmbc.mnova addProperty Comment=TM-VI-254, Na+unprotect. pyr. hmbc test 0: 14_14-hmbc_14-hmbc.mnova addProperty Origin=Bruker test 0: 14_14-hmbc_14-hmbc.mnova addProperty Instrument=spect test 0: 14_14-hmbc_14-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 14_14-hmbc_14-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.7384 test 0: 14_14-hmbc_14-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 14_14-hmbc_14-hmbc.mnova addProperty Experiment=HMBC test 0: 14_14-hmbc_14-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 14_14-hmbc_14-hmbc.mnova addProperty Number of Scans=8 test 0: 14_14-hmbc_14-hmbc.mnova addProperty Receiver Gain=199.33 test 0: 14_14-hmbc_14-hmbc.mnova addProperty Relaxation Delay=1.0 test 0: 14_14-hmbc_14-hmbc.mnova addProperty Pulse Width=11.25 test 0: 14_14-hmbc_14-hmbc.mnova addProperty Acquisition Time=0.08519680000000006 test 0: 14_14-hmbc_14-hmbc.mnova addProperty IFD.property.dataobject.timestamp=2022-01-25T00:55:28 test 0: 14_14-hmbc_14-hmbc.mnova addProperty Acquisition Date=2022-01-25T00:55:28 test 0: 14_14-hmbc_14-hmbc.mnova addProperty Modification Date=2022-01-25T01:15:08 test 0: 14_14-hmbc_14-hmbc.mnova addProperty Spectrum Quality=0 test 0: 14_14-hmbc_14-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.642445764415 test 0: 14_14-hmbc_14-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2028014 test 0: 14_14-hmbc_14-hmbc.mnova addProperty Spectral Width=6009.6153846154 test 0: 14_14-hmbc_14-hmbc.mnova addProperty Lowest Frequency=-203.407692297863 test 0: 14_14-hmbc_14-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 14_14-hmbc_14-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 14_14-hmbc_14-hmbc.mnova addProperty Acquired Size=512 test 0: 14_14-hmbc_14-hmbc.mnova addProperty Spectral Size=512 test 0: 14_14-hmbc_14-hmbc.mnova addProperty Digital Resolution=11.737530048077 test 0: 14_14-hmbc_14-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 14_14-hmbc_14-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 14_14-hmbc_14-hmbc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 14_14-hsqc_14-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 14_14-hsqc_14-hsqc.mnova addProperty Title=Jan24-2022.92.ser test 0: 14_14-hsqc_14-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-254, Na+unprotect. pyr. hsqc test 0: 14_14-hsqc_14-hsqc.mnova addProperty Comment=TM-VI-254, Na+unprotect. pyr. hsqc test 0: 14_14-hsqc_14-hsqc.mnova addProperty Origin=Bruker test 0: 14_14-hsqc_14-hsqc.mnova addProperty Instrument=spect test 0: 14_14-hsqc_14-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 14_14-hsqc_14-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.5299 test 0: 14_14-hsqc_14-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hsqcetgpsi2.ph test 0: 14_14-hsqc_14-hsqc.mnova addProperty Experiment=HSQC test 0: 14_14-hsqc_14-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 14_14-hsqc_14-hsqc.mnova addProperty Number of Scans=2 test 0: 14_14-hsqc_14-hsqc.mnova addProperty Receiver Gain=199.33 test 0: 14_14-hsqc_14-hsqc.mnova addProperty Relaxation Delay=1.0 test 0: 14_14-hsqc_14-hsqc.mnova addProperty Pulse Width=11.25 test 0: 14_14-hsqc_14-hsqc.mnova addProperty Acquisition Time=0.1142784 test 0: 14_14-hsqc_14-hsqc.mnova addProperty IFD.property.dataobject.timestamp=2022-01-24T17:35:00 test 0: 14_14-hsqc_14-hsqc.mnova addProperty Acquisition Date=2022-01-24T17:35:00 test 0: 14_14-hsqc_14-hsqc.mnova addProperty Modification Date=2022-01-24T17:44:32 test 0: 14_14-hsqc_14-hsqc.mnova addProperty Spectrum Quality=0 test 0: 14_14-hsqc_14-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.641439460712 test 0: 14_14-hsqc_14-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.202001 test 0: 14_14-hsqc_14-hsqc.mnova addProperty Spectral Width=4480.28673835127 test 0: 14_14-hsqc_14-hsqc.mnova addProperty Lowest Frequency=-239.143369168609 test 0: 14_14-hsqc_14-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 14_14-hsqc_14-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 14_14-hsqc_14-hsqc.mnova addProperty Acquired Size=512 test 0: 14_14-hsqc_14-hsqc.mnova addProperty Spectral Size=512 test 0: 14_14-hsqc_14-hsqc.mnova addProperty Digital Resolution=8.75056003584232 test 0: 14_14-hsqc_14-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 14_14-hsqc_14-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 14_14-hsqc_14-hsqc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 14_14-1H_14-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 14_14-1H_14-1H.mnova addProperty Title=Jan24-2022.90.fid test 0: 14_14-1H_14-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-254, Na+unprotect. pyr. test 0: 14_14-1H_14-1H.mnova addProperty Comment=TM-VI-254, Na+unprotect. pyr. test 0: 14_14-1H_14-1H.mnova addProperty Origin=Bruker test 0: 14_14-1H_14-1H.mnova addProperty Instrument=spect test 0: 14_14-1H_14-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 14_14-1H_14-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.5847 test 0: 14_14-1H_14-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 14_14-1H_14-1H.mnova addProperty Experiment=1D test 0: 14_14-1H_14-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 14_14-1H_14-1H.mnova addProperty Number of Scans=16 test 0: 14_14-1H_14-1H.mnova addProperty Receiver Gain=199.33 test 0: 14_14-1H_14-1H.mnova addProperty Relaxation Delay=1.0 test 0: 14_14-1H_14-1H.mnova addProperty Pulse Width=11.25 test 0: 14_14-1H_14-1H.mnova addProperty Acquisition Time=2.0447233 test 0: 14_14-1H_14-1H.mnova addProperty IFD.property.dataobject.timestamp=2022-01-24T17:19:00 test 0: 14_14-1H_14-1H.mnova addProperty Acquisition Date=2022-01-24T17:19:00 test 0: 14_14-1H_14-1H.mnova addProperty Modification Date=2022-01-24T17:19:45 test 0: 14_14-1H_14-1H.mnova addProperty Spectrum Quality=0 test 0: 14_14-1H_14-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2024012 test 0: 14_14-1H_14-1H.mnova addProperty Spectral Width=8012.8205128205 test 0: 14_14-1H_14-1H.mnova addProperty Lowest Frequency=-1613.1341901736 test 0: 14_14-1H_14-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 14_14-1H_14-1H.mnova addProperty Acquired Size=16384 test 0: 14_14-1H_14-1H.mnova addProperty Spectral Size=65536 test 0: 14_14-1H_14-1H.mnova addProperty Digital Resolution=0.122265938000801 test 0: 14_14-1H_14-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 14_14-1H_14-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 14_14-1H_14-1H.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 14/14-1H/14-1H.zip|90/ test 0: Phase 2.1 checking zip directory: 8 14/14-1H/14-1H.zip|90/pdata/ test 0: Phase 2.1 checking zip directory: 9 14/14-1H/14-1H.zip|90/pdata/1/ test 0: !rezip pattern found 14/14-1H/14-1H.zip|90/ [IFDRepresentation type=null ref=[IFDReference Archive::14/14-1H/14-1H.zip|90/ :as::14_14-1H_14-1H.zip..90.zip]] test 0: Phase 2.1 checking zip directory: 308 15/ test 0: Phase 2.1 checking zip directory: 309 15/15-IR/ test 0: Phase 2.1 checking zip directory: 310 15/15-1H/ test 0: Phase 2.1 checking zip directory: 313 15/15-X-ray/ test 0: Phase 2.1 checking zip directory: 314 15/15-solvate-X-ray/ test 0: Phase 2.1 checking zip directory: 316 15/15-13C/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: Mg An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 49 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 49 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: 15_15-13C_15b.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 15_15-13C_15b.mnova addProperty Title=Feb18-2022.32.fid test 0: 15_15-13C_15b.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-259, rpt2 13C test 0: 15_15-13C_15b.mnova addProperty Comment=TM-VI-259, rpt2 13C test 0: 15_15-13C_15b.mnova addProperty Origin=Bruker test 0: 15_15-13C_15b.mnova addProperty Instrument=spect test 0: 15_15-13C_15b.mnova addProperty Author=username test 0: 15_15-13C_15b.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 15_15-13C_15b.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.2181 test 0: 15_15-13C_15b.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 15_15-13C_15b.mnova addProperty Experiment=1D test 0: 15_15-13C_15b.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 15_15-13C_15b.mnova addProperty Number of Scans=1200 test 0: 15_15-13C_15b.mnova addProperty Receiver Gain=207.33 test 0: 15_15-13C_15b.mnova addProperty Relaxation Delay=1.0 test 0: 15_15-13C_15b.mnova addProperty Pulse Width=9.6 test 0: 15_15-13C_15b.mnova addProperty Acquisition Time=0.622592 test 0: 15_15-13C_15b.mnova addProperty IFD.property.dataobject.timestamp=2022-02-18T23:01:00 test 0: 15_15-13C_15b.mnova addProperty Acquisition Date=2022-02-18T23:01:00 test 0: 15_15-13C_15b.mnova addProperty Modification Date=2022-10-25T07:29:37 test 0: 15_15-13C_15b.mnova addProperty Spectrum Quality=0 test 0: 15_15-13C_15b.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.694248477066 test 0: 15_15-13C_15b.mnova addProperty Spectral Width=26315.7894736842 test 0: 15_15-13C_15b.mnova addProperty Lowest Frequency=-2084.42008802169 test 0: 15_15-13C_15b.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 15_15-13C_15b.mnova addProperty Acquired Size=16384 test 0: 15_15-13C_15b.mnova addProperty Spectral Size=65536 test 0: 15_15-13C_15b.mnova addProperty Digital Resolution=0.401547080592105 test 0: 15_15-13C_15b.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 15_15-13C_15b.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 15_15-13C_15b.mnova addProperty mnovaVersion=14.3.0-30573 test 0: 15_15-13C_15b-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 15_15-13C_15b-13C.mnova addProperty Title=Feb18-2022.32.fid test 0: 15_15-13C_15b-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-259, rpt2 13C test 0: 15_15-13C_15b-13C.mnova addProperty Comment=TM-VI-259, rpt2 13C test 0: 15_15-13C_15b-13C.mnova addProperty Origin=Bruker test 0: 15_15-13C_15b-13C.mnova addProperty Instrument=spect test 0: 15_15-13C_15b-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 15_15-13C_15b-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.2181 test 0: 15_15-13C_15b-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 15_15-13C_15b-13C.mnova addProperty Experiment=1D test 0: 15_15-13C_15b-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 15_15-13C_15b-13C.mnova addProperty Number of Scans=1200 test 0: 15_15-13C_15b-13C.mnova addProperty Receiver Gain=207.33 test 0: 15_15-13C_15b-13C.mnova addProperty Relaxation Delay=1.0 test 0: 15_15-13C_15b-13C.mnova addProperty Pulse Width=9.6 test 0: 15_15-13C_15b-13C.mnova addProperty Acquisition Time=0.622592 test 0: 15_15-13C_15b-13C.mnova addProperty IFD.property.dataobject.timestamp=2022-02-18T23:01:00 test 0: 15_15-13C_15b-13C.mnova addProperty Acquisition Date=2022-02-18T23:01:00 test 0: 15_15-13C_15b-13C.mnova addProperty Modification Date=2022-02-18T23:01:23 test 0: 15_15-13C_15b-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.694248477066 test 0: 15_15-13C_15b-13C.mnova addProperty Spectrum Quality=0 test 0: 15_15-13C_15b-13C.mnova addProperty Spectral Width=26315.7894736842 test 0: 15_15-13C_15b-13C.mnova addProperty Lowest Frequency=-1997.51054749895 test 0: 15_15-13C_15b-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 15_15-13C_15b-13C.mnova addProperty Acquired Size=16384 test 0: 15_15-13C_15b-13C.mnova addProperty Spectral Size=65536 test 0: 15_15-13C_15b-13C.mnova addProperty Digital Resolution=0.401547080592105 test 0: 15_15-13C_15b-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 15_15-13C_15b-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 15_15-13C_15b-13C.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 15/15-13C/15b-13C.zip|32/ test 0: Phase 2.1 checking zip directory: 10 15/15-13C/15b-13C.zip|32/pdata/ test 0: Phase 2.1 checking zip directory: 11 15/15-13C/15b-13C.zip|32/pdata/1/ test 0: !rezip pattern found 15/15-13C/15b-13C.zip|32/ [IFDRepresentation type=null ref=[IFDReference Archive::15/15-13C/15b-13C.zip|32/ :as::15_15-13C_15b-13C.zip..32.zip]] test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: Mg An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 49 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 49 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C32 H42 Mg N4 O10 test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2118 test 0: !Jmol 29 bonds read test 0: !Jmol CIF creating molecule for 89 atoms using GEOM_BOND records test 0: !Jmol reading 89 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 89 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C32 H42 Mg N4 O10 test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2118 test 0: !Jmol reading 99 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 99 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 3 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C30 H38 Mg N4 O10 test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol 15b test 0: !Jmol 30 bonds read test 0: !Jmol CIF creating molecule for 98 atoms using GEOM_BOND records test 0: !Jmol reading 97 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 97 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 5 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C30 H38 Mg N4 O10 test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol 15b test 0: !Jmol reading 112 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 112 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 11 ms test 0: Phase 2.1 checking zip directory: 2 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/ test 0: Phase 2.1 checking zip directory: 9 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/ test 0: Phase 2.1 checking zip directory: 10 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/1/ test 0: !rezip pattern found 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/ [IFDRepresentation type=null ref=[IFDReference Archive::15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/ :as::15_15-1H_15b-1H.zip..Mg-Pmb_complex_1H.zip]] test 0: 15_15-1H_15b-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 15_15-1H_15b-1H.mnova addProperty Title=Feb18-2022.31.fid test 0: 15_15-1H_15b-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-259, rpt2 long proton test 0: 15_15-1H_15b-1H.mnova addProperty Comment=TM-VI-259, rpt2 long proton test 0: 15_15-1H_15b-1H.mnova addProperty Origin=Bruker test 0: 15_15-1H_15b-1H.mnova addProperty Instrument=spect test 0: 15_15-1H_15b-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 15_15-1H_15b-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.1041 test 0: 15_15-1H_15b-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 15_15-1H_15b-1H.mnova addProperty Experiment=1D test 0: 15_15-1H_15b-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 15_15-1H_15b-1H.mnova addProperty Number of Scans=128 test 0: 15_15-1H_15b-1H.mnova addProperty Receiver Gain=82.6 test 0: 15_15-1H_15b-1H.mnova addProperty Relaxation Delay=1.0 test 0: 15_15-1H_15b-1H.mnova addProperty Pulse Width=11.25 test 0: 15_15-1H_15b-1H.mnova addProperty Acquisition Time=2.0447233 test 0: 15_15-1H_15b-1H.mnova addProperty IFD.property.dataobject.timestamp=2022-02-18T12:33:00 test 0: 15_15-1H_15b-1H.mnova addProperty Acquisition Date=2022-02-18T12:33:00 test 0: 15_15-1H_15b-1H.mnova addProperty Modification Date=2022-02-18T12:33:34 test 0: 15_15-1H_15b-1H.mnova addProperty Spectrum Quality=0 test 0: 15_15-1H_15b-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41240246 test 0: 15_15-1H_15b-1H.mnova addProperty Spectral Width=8012.82051282051 test 0: 15_15-1H_15b-1H.mnova addProperty Lowest Frequency=-1612.27876735202 test 0: 15_15-1H_15b-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 15_15-1H_15b-1H.mnova addProperty Acquired Size=16384 test 0: 15_15-1H_15b-1H.mnova addProperty Spectral Size=65536 test 0: 15_15-1H_15b-1H.mnova addProperty Digital Resolution=0.122265938000801 test 0: 15_15-1H_15b-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 15_15-1H_15b-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 15_15-1H_15b-1H.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/ test 0: Phase 2.1 checking zip directory: 9 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/ test 0: Phase 2.1 checking zip directory: 10 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/1/ test 0: !rezip pattern found 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/ [IFDRepresentation type=null ref=[IFDReference Archive::15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/ :as::15_15-1H_15b-1H-a.zip..Mg-Pmb_complex_1H_(long_exp).zip]] test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: Mg An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 49 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 49 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 6 ms test 0: Phase 2.1 checking zip directory: 334 16/ test 0: Phase 2.1 checking zip directory: 337 16/16-hmbc/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: Mg An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 43 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 43 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 2 ms test 0: Phase 2.1 checking zip directory: 340 16/16-1H/ test 0: Phase 2.1 checking zip directory: 341 16/16-13C/ test 0: Phase 2.1 checking zip directory: 342 16/16-X-ray/ test 0: Phase 2.1 checking zip directory: 344 16/16-IR/ test 0: Phase 2.1 checking zip directory: 345 16/16-hsqc/ test 0: 16_16-hsqc_16-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 16_16-hsqc_16-hsqc.mnova addProperty Title=Oct20-2021.53.ser test 0: 16_16-hsqc_16-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-104 Mg+Ph-pyrraz. hsqc test 0: 16_16-hsqc_16-hsqc.mnova addProperty Comment=TM-VI-104 Mg+Ph-pyrraz. hsqc test 0: 16_16-hsqc_16-hsqc.mnova addProperty Origin=Bruker test 0: 16_16-hsqc_16-hsqc.mnova addProperty Instrument=spect test 0: 16_16-hsqc_16-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 16_16-hsqc_16-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=293.9939 test 0: 16_16-hsqc_16-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hsqcedetgpsisp2.3 test 0: 16_16-hsqc_16-hsqc.mnova addProperty Experiment=HSQC-EDITED test 0: 16_16-hsqc_16-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 16_16-hsqc_16-hsqc.mnova addProperty Number of Scans=8 test 0: 16_16-hsqc_16-hsqc.mnova addProperty Receiver Gain=207.33 test 0: 16_16-hsqc_16-hsqc.mnova addProperty Relaxation Delay=1.5 test 0: 16_16-hsqc_16-hsqc.mnova addProperty Pulse Width=11.25 test 0: 16_16-hsqc_16-hsqc.mnova addProperty Acquisition Time=0.079872 test 0: 16_16-hsqc_16-hsqc.mnova addProperty IFD.property.dataobject.timestamp=2021-10-20T21:34:00 test 0: 16_16-hsqc_16-hsqc.mnova addProperty Acquisition Date=2021-10-20T21:34:00 test 0: 16_16-hsqc_16-hsqc.mnova addProperty Modification Date=2021-10-20T22:21:08 test 0: 16_16-hsqc_16-hsqc.mnova addProperty Spectrum Quality=0 test 0: 16_16-hsqc_16-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.694248895112 test 0: 16_16-hsqc_16-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41280287 test 0: 16_16-hsqc_16-hsqc.mnova addProperty Spectral Width=6410.25641025643 test 0: 16_16-hsqc_16-hsqc.mnova addProperty Lowest Frequency=-402.258205145964 test 0: 16_16-hsqc_16-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 16_16-hsqc_16-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 16_16-hsqc_16-hsqc.mnova addProperty Acquired Size=512 test 0: 16_16-hsqc_16-hsqc.mnova addProperty Spectral Size=512 test 0: 16_16-hsqc_16-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 16_16-hsqc_16-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 16_16-hsqc_16-hsqc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C26 H32 Mg N4 O9 test 0: !Jmol Setting space group name to 14 test 0: !Jmol Setting space group name to HM:P 21/n test 0: !Jmol Setting space group name to Hall:-P 2yn test 0: !Jmol AB2116b test 0: !Jmol 28 bonds read test 0: !Jmol CIF creating molecule for 183 atoms using GEOM_BOND records test 0: !Jmol reading 91 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 91 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 2 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C26 H32 Mg N4 O9 test 0: !Jmol Setting space group name to 14 test 0: !Jmol Setting space group name to HM:P 21/n test 0: !Jmol Setting space group name to Hall:-P 2yn test 0: !Jmol AB2116b test 0: !Jmol reading 205 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 205 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 7 ms test 0: 16_16-13C_16-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 16_16-13C_16-13C.mnova addProperty Title=Oct20-2021.51.fid test 0: 16_16-13C_16-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-104 Mg+Ph-pyrraz. 13C test 0: 16_16-13C_16-13C.mnova addProperty Comment=TM-VI-104 Mg+Ph-pyrraz. 13C test 0: 16_16-13C_16-13C.mnova addProperty Origin=Bruker test 0: 16_16-13C_16-13C.mnova addProperty Instrument=spect test 0: 16_16-13C_16-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 16_16-13C_16-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.8624 test 0: 16_16-13C_16-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 16_16-13C_16-13C.mnova addProperty Experiment=1D test 0: 16_16-13C_16-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 16_16-13C_16-13C.mnova addProperty Number of Scans=1200 test 0: 16_16-13C_16-13C.mnova addProperty Receiver Gain=207.33 test 0: 16_16-13C_16-13C.mnova addProperty Relaxation Delay=1.0 test 0: 16_16-13C_16-13C.mnova addProperty Pulse Width=9.6 test 0: 16_16-13C_16-13C.mnova addProperty Acquisition Time=0.622592 test 0: 16_16-13C_16-13C.mnova addProperty IFD.property.dataobject.timestamp=2021-10-20T21:11:00 test 0: 16_16-13C_16-13C.mnova addProperty Acquisition Date=2021-10-20T21:11:00 test 0: 16_16-13C_16-13C.mnova addProperty Modification Date=2021-10-20T21:11:40 test 0: 16_16-13C_16-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.694248477066 test 0: 16_16-13C_16-13C.mnova addProperty Spectrum Quality=0 test 0: 16_16-13C_16-13C.mnova addProperty Spectral Width=26315.7894736842 test 0: 16_16-13C_16-13C.mnova addProperty Lowest Frequency=-1995.1848355557 test 0: 16_16-13C_16-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 16_16-13C_16-13C.mnova addProperty Acquired Size=16384 test 0: 16_16-13C_16-13C.mnova addProperty Spectral Size=65536 test 0: 16_16-13C_16-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 16_16-13C_16-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 16_16-13C_16-13C.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 16/16-13C/16-13C.zip|51/ test 0: Phase 2.1 checking zip directory: 10 16/16-13C/16-13C.zip|51/pdata/ test 0: Phase 2.1 checking zip directory: 11 16/16-13C/16-13C.zip|51/pdata/1/ test 0: !rezip pattern found 16/16-13C/16-13C.zip|51/ [IFDRepresentation type=null ref=[IFDReference Archive::16/16-13C/16-13C.zip|51/ :as::16_16-13C_16-13C.zip..51.zip]] test 0: 16_16-1H_16-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 16_16-1H_16-1H.mnova addProperty Title=Oct20-2021.50.fid test 0: 16_16-1H_16-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-104 Mg+Ph-pyrraz. test 0: 16_16-1H_16-1H.mnova addProperty Comment=TM-VI-104 Mg+Ph-pyrraz. test 0: 16_16-1H_16-1H.mnova addProperty Origin=Bruker test 0: 16_16-1H_16-1H.mnova addProperty Instrument=spect test 0: 16_16-1H_16-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 16_16-1H_16-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.298 test 0: 16_16-1H_16-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 16_16-1H_16-1H.mnova addProperty Experiment=1D test 0: 16_16-1H_16-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 16_16-1H_16-1H.mnova addProperty Number of Scans=16 test 0: 16_16-1H_16-1H.mnova addProperty Receiver Gain=207.33 test 0: 16_16-1H_16-1H.mnova addProperty Relaxation Delay=1.0 test 0: 16_16-1H_16-1H.mnova addProperty Pulse Width=11.25 test 0: 16_16-1H_16-1H.mnova addProperty Acquisition Time=2.0447233 test 0: 16_16-1H_16-1H.mnova addProperty IFD.property.dataobject.timestamp=2021-10-20T15:08:00 test 0: 16_16-1H_16-1H.mnova addProperty Acquisition Date=2021-10-20T15:08:00 test 0: 16_16-1H_16-1H.mnova addProperty Modification Date=2021-10-20T15:08:16 test 0: 16_16-1H_16-1H.mnova addProperty Spectrum Quality=0 test 0: 16_16-1H_16-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41240246 test 0: 16_16-1H_16-1H.mnova addProperty Spectral Width=8012.82051282051 test 0: 16_16-1H_16-1H.mnova addProperty Lowest Frequency=-1612.87938112076 test 0: 16_16-1H_16-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 16_16-1H_16-1H.mnova addProperty Acquired Size=16384 test 0: 16_16-1H_16-1H.mnova addProperty Spectral Size=65536 test 0: 16_16-1H_16-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 16_16-1H_16-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 16_16-1H_16-1H.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 16/16-1H/16-1H.zip|50/ test 0: Phase 2.1 checking zip directory: 8 16/16-1H/16-1H.zip|50/pdata/ test 0: Phase 2.1 checking zip directory: 9 16/16-1H/16-1H.zip|50/pdata/1/ test 0: !rezip pattern found 16/16-1H/16-1H.zip|50/ [IFDRepresentation type=null ref=[IFDReference Archive::16/16-1H/16-1H.zip|50/ :as::16_16-1H_16-1H.zip..50.zip]] test 0: 16_16-hmbc_16-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 16_16-hmbc_16-hmbc.mnova addProperty Title=Oct20-2021.52.ser test 0: 16_16-hmbc_16-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-104 Mg+Ph-pyrraz. hmbc test 0: 16_16-hmbc_16-hmbc.mnova addProperty Comment=TM-VI-104 Mg+Ph-pyrraz. hmbc test 0: 16_16-hmbc_16-hmbc.mnova addProperty Origin=Bruker test 0: 16_16-hmbc_16-hmbc.mnova addProperty Instrument=spect test 0: 16_16-hmbc_16-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 16_16-hmbc_16-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.6121 test 0: 16_16-hmbc_16-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 16_16-hmbc_16-hmbc.mnova addProperty Experiment=HMBC test 0: 16_16-hmbc_16-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 16_16-hmbc_16-hmbc.mnova addProperty Number of Scans=8 test 0: 16_16-hmbc_16-hmbc.mnova addProperty Receiver Gain=207.33 test 0: 16_16-hmbc_16-hmbc.mnova addProperty Relaxation Delay=1.0 test 0: 16_16-hmbc_16-hmbc.mnova addProperty Pulse Width=11.25 test 0: 16_16-hmbc_16-hmbc.mnova addProperty Acquisition Time=0.08519680000000006 test 0: 16_16-hmbc_16-hmbc.mnova addProperty IFD.property.dataobject.timestamp=2021-10-20T21:12:18 test 0: 16_16-hmbc_16-hmbc.mnova addProperty Acquisition Date=2021-10-20T21:12:18 test 0: 16_16-hmbc_16-hmbc.mnova addProperty Modification Date=2021-10-20T21:31:58 test 0: 16_16-hmbc_16-hmbc.mnova addProperty Spectrum Quality=0 test 0: 16_16-hmbc_16-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.6952553088 test 0: 16_16-hmbc_16-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41280287 test 0: 16_16-hmbc_16-hmbc.mnova addProperty Spectral Width=6009.61538461538 test 0: 16_16-hmbc_16-hmbc.mnova addProperty Lowest Frequency=-201.937692325443 test 0: 16_16-hmbc_16-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 16_16-hmbc_16-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 16_16-hmbc_16-hmbc.mnova addProperty Acquired Size=512 test 0: 16_16-hmbc_16-hmbc.mnova addProperty Spectral Size=512 test 0: 16_16-hmbc_16-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 16_16-hmbc_16-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 16_16-hmbc_16-hmbc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 364 17/ test 0: Phase 2.1 checking zip directory: 367 17/17-cosy/ test 0: Phase 2.1 checking zip directory: 369 17/17-hmbc/ test 0: Phase 2.1 checking zip directory: 370 17/17-X-ray/ test 0: Phase 2.1 checking zip directory: 371 17/17-hsqc/ test 0: Phase 2.1 checking zip directory: 372 17/17-IR/ test 0: Phase 2.1 checking zip directory: 374 17/17-13C/ test 0: Phase 2.1 checking zip directory: 375 17/17-1H/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: Mg An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 55 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 55 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: Phase 2.1 checking zip directory: 2 17/17-1H/17-1H.zip|50/ test 0: Phase 2.1 checking zip directory: 9 17/17-1H/17-1H.zip|50/pdata/ test 0: Phase 2.1 checking zip directory: 10 17/17-1H/17-1H.zip|50/pdata/1/ test 0: !rezip pattern found 17/17-1H/17-1H.zip|50/ [IFDRepresentation type=null ref=[IFDReference Archive::17/17-1H/17-1H.zip|50/ :as::17_17-1H_17-1H.zip..50.zip]] test 0: 17_17-1H_17-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 17_17-1H_17-1H.mnova addProperty Title=Feb18-2022.41.fid test 0: 17_17-1H_17-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-260, rpt2 long proton test 0: 17_17-1H_17-1H.mnova addProperty Comment=TM-VI-260, rpt2 long proton test 0: 17_17-1H_17-1H.mnova addProperty Origin=Bruker test 0: 17_17-1H_17-1H.mnova addProperty Instrument=spect test 0: 17_17-1H_17-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 17_17-1H_17-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.1051 test 0: 17_17-1H_17-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 17_17-1H_17-1H.mnova addProperty Experiment=1D test 0: 17_17-1H_17-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 17_17-1H_17-1H.mnova addProperty Number of Scans=128 test 0: 17_17-1H_17-1H.mnova addProperty Receiver Gain=207.33 test 0: 17_17-1H_17-1H.mnova addProperty Relaxation Delay=1.0 test 0: 17_17-1H_17-1H.mnova addProperty Pulse Width=11.25 test 0: 17_17-1H_17-1H.mnova addProperty Acquisition Time=2.0447233 test 0: 17_17-1H_17-1H.mnova addProperty IFD.property.dataobject.timestamp=2022-02-18T12:42:00 test 0: 17_17-1H_17-1H.mnova addProperty Acquisition Date=2022-02-18T12:42:00 test 0: 17_17-1H_17-1H.mnova addProperty Modification Date=2022-02-18T12:42:13 test 0: 17_17-1H_17-1H.mnova addProperty Spectrum Quality=0 test 0: 17_17-1H_17-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41240246 test 0: 17_17-1H_17-1H.mnova addProperty Spectral Width=8012.82051282051 test 0: 17_17-1H_17-1H.mnova addProperty Lowest Frequency=-1613.19969680982 test 0: 17_17-1H_17-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 17_17-1H_17-1H.mnova addProperty Acquired Size=16384 test 0: 17_17-1H_17-1H.mnova addProperty Spectral Size=65536 test 0: 17_17-1H_17-1H.mnova addProperty Digital Resolution=0.122265938000801 test 0: 17_17-1H_17-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 17_17-1H_17-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 17_17-1H_17-1H.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 17_17-13C_17-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 17_17-13C_17-13C.mnova addProperty Title=Feb21-2022.1.fid test 0: 17_17-13C_17-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=T Mies ; agmb ; TM-V1-260 in CD3OD ; 13C{1H} NMR Spectrum using Av400D ; Feb21-2022 / 1 test 0: 17_17-13C_17-13C.mnova addProperty Comment=T Mies ; agmb ; TM-V1-260 in CD3OD ; 13C{1H} NMR Spectrum using Av400D ; Feb21-2022 / 1 test 0: 17_17-13C_17-13C.mnova addProperty Origin=Bruker test 0: 17_17-13C_17-13C.mnova addProperty Instrument=spect test 0: 17_17-13C_17-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 17_17-13C_17-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=298.0004 test 0: 17_17-13C_17-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 17_17-13C_17-13C.mnova addProperty Experiment=1D test 0: 17_17-13C_17-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0188 test 0: 17_17-13C_17-13C.mnova addProperty Number of Scans=34176 test 0: 17_17-13C_17-13C.mnova addProperty Receiver Gain=197.34 test 0: 17_17-13C_17-13C.mnova addProperty Relaxation Delay=1.0 test 0: 17_17-13C_17-13C.mnova addProperty Pulse Width=9.0 test 0: 17_17-13C_17-13C.mnova addProperty Acquisition Time=0.6815744000000011 test 0: 17_17-13C_17-13C.mnova addProperty IFD.property.dataobject.timestamp=2022-02-22T09:29:51 test 0: 17_17-13C_17-13C.mnova addProperty Acquisition Date=2022-02-22T09:29:51 test 0: 17_17-13C_17-13C.mnova addProperty Modification Date=2022-02-22T09:29:52 test 0: 17_17-13C_17-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.60371819183 test 0: 17_17-13C_17-13C.mnova addProperty Spectrum Quality=0 test 0: 17_17-13C_17-13C.mnova addProperty Spectral Width=24038.4615384615 test 0: 17_17-13C_17-13C.mnova addProperty Lowest Frequency=-812.954597266382 test 0: 17_17-13C_17-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 17_17-13C_17-13C.mnova addProperty Acquired Size=16384 test 0: 17_17-13C_17-13C.mnova addProperty Spectral Size=65536 test 0: 17_17-13C_17-13C.mnova addProperty Digital Resolution=0.366797814002403 test 0: 17_17-13C_17-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 17_17-13C_17-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 17_17-13C_17-13C.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 17/17-13C/17-13C.zip|1/ test 0: Phase 2.1 checking zip directory: 11 17/17-13C/17-13C.zip|1/pdata/ test 0: Phase 2.1 checking zip directory: 12 17/17-13C/17-13C.zip|1/pdata/1/ test 0: !rezip pattern found 17/17-13C/17-13C.zip|1/ [IFDRepresentation type=null ref=[IFDReference Archive::17/17-13C/17-13C.zip|1/ :as::17_17-13C_17-13C.zip..1.zip]] test 0: 17_17-hsqc_17-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 17_17-hsqc_17-hsqc.mnova addProperty Title=Nov18-2021.52.ser test 0: 17_17-hsqc_17-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-169 acetone-d6 Mg+Bz-pyr. hsqc test 0: 17_17-hsqc_17-hsqc.mnova addProperty Comment=TM-VI-169 acetone-d6 Mg+Bz-pyr. hsqc test 0: 17_17-hsqc_17-hsqc.mnova addProperty Origin=Bruker test 0: 17_17-hsqc_17-hsqc.mnova addProperty Instrument=spect test 0: 17_17-hsqc_17-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 17_17-hsqc_17-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.542 test 0: 17_17-hsqc_17-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hsqcetgpsi2.ph test 0: 17_17-hsqc_17-hsqc.mnova addProperty Experiment=HSQC test 0: 17_17-hsqc_17-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 17_17-hsqc_17-hsqc.mnova addProperty Number of Scans=2 test 0: 17_17-hsqc_17-hsqc.mnova addProperty Receiver Gain=199.33 test 0: 17_17-hsqc_17-hsqc.mnova addProperty Relaxation Delay=1.0 test 0: 17_17-hsqc_17-hsqc.mnova addProperty Pulse Width=10.0 test 0: 17_17-hsqc_17-hsqc.mnova addProperty Acquisition Time=0.1142784 test 0: 17_17-hsqc_17-hsqc.mnova addProperty IFD.property.dataobject.timestamp=2021-11-18T14:08:00 test 0: 17_17-hsqc_17-hsqc.mnova addProperty Acquisition Date=2021-11-18T14:08:00 test 0: 17_17-hsqc_17-hsqc.mnova addProperty Modification Date=2021-11-18T14:17:36 test 0: 17_17-hsqc_17-hsqc.mnova addProperty Spectrum Quality=0 test 0: 17_17-hsqc_17-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.641439460712 test 0: 17_17-hsqc_17-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.202001 test 0: 17_17-hsqc_17-hsqc.mnova addProperty Spectral Width=4480.28673835127 test 0: 17_17-hsqc_17-hsqc.mnova addProperty Lowest Frequency=-239.143369168609 test 0: 17_17-hsqc_17-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 17_17-hsqc_17-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 17_17-hsqc_17-hsqc.mnova addProperty Acquired Size=512 test 0: 17_17-hsqc_17-hsqc.mnova addProperty Spectral Size=512 test 0: 17_17-hsqc_17-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 17_17-hsqc_17-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 17_17-hsqc_17-hsqc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C40 H42 Mg N4 O8 test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2221 test 0: !Jmol 33 bonds read test 0: !Jmol CIF creating molecule for 96 atoms using GEOM_BOND records test 0: !Jmol reading 95 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 95 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 2 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C40 H42 Mg N4 O8 test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2221 test 0: !Jmol reading 110 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 110 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 0 ms test 0: 17_17-hmbc_17-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 17_17-hmbc_17-hmbc.mnova addProperty Title=Nov18-2021.54.ser test 0: 17_17-hmbc_17-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-169 acetone-d6 Mg+Bz-pyr. hmbc test 0: 17_17-hmbc_17-hmbc.mnova addProperty Comment=TM-VI-169 acetone-d6 Mg+Bz-pyr. hmbc test 0: 17_17-hmbc_17-hmbc.mnova addProperty Origin=Bruker test 0: 17_17-hmbc_17-hmbc.mnova addProperty Instrument=spect test 0: 17_17-hmbc_17-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 17_17-hmbc_17-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.1636 test 0: 17_17-hmbc_17-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 17_17-hmbc_17-hmbc.mnova addProperty Experiment=HMBC test 0: 17_17-hmbc_17-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 17_17-hmbc_17-hmbc.mnova addProperty Number of Scans=8 test 0: 17_17-hmbc_17-hmbc.mnova addProperty Receiver Gain=199.33 test 0: 17_17-hmbc_17-hmbc.mnova addProperty Relaxation Delay=1.0 test 0: 17_17-hmbc_17-hmbc.mnova addProperty Pulse Width=10.0 test 0: 17_17-hmbc_17-hmbc.mnova addProperty Acquisition Time=0.08519680000000006 test 0: 17_17-hmbc_17-hmbc.mnova addProperty IFD.property.dataobject.timestamp=2021-11-18T22:34:17 test 0: 17_17-hmbc_17-hmbc.mnova addProperty Acquisition Date=2021-11-18T22:34:17 test 0: 17_17-hmbc_17-hmbc.mnova addProperty Modification Date=2021-11-18T22:53:57 test 0: 17_17-hmbc_17-hmbc.mnova addProperty Spectrum Quality=0 test 0: 17_17-hmbc_17-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.642445764415 test 0: 17_17-hmbc_17-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2028014 test 0: 17_17-hmbc_17-hmbc.mnova addProperty Spectral Width=6009.6153846154 test 0: 17_17-hmbc_17-hmbc.mnova addProperty Lowest Frequency=-203.407692297863 test 0: 17_17-hmbc_17-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 17_17-hmbc_17-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 17_17-hmbc_17-hmbc.mnova addProperty Acquired Size=512 test 0: 17_17-hmbc_17-hmbc.mnova addProperty Spectral Size=512 test 0: 17_17-hmbc_17-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 17_17-hmbc_17-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 17_17-hmbc_17-hmbc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 399 18/ test 0: Phase 2.1 checking zip directory: 400 18/18-X-ray/ test 0: Phase 2.1 checking zip directory: 401 18/18-hsqc/ test 0: Phase 2.1 checking zip directory: 403 18/18-13C/ test 0: Phase 2.1 checking zip directory: 405 18/18-hmbc/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: Mg An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 31 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 31 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 0 ms test 0: Phase 2.1 checking zip directory: 407 18/18-1H/ test 0: Phase 2.1 checking zip directory: 408 18/18-IR/ test 0: 18_18-1H_18-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 18_18-1H_18-1H.mnova addProperty Title=Oct20-2021.70.fid test 0: 18_18-1H_18-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-106solid Mg+unprotect.-pyrraz. d6-dmso. test 0: 18_18-1H_18-1H.mnova addProperty Comment=TM-VI-106solid Mg+unprotect.-pyrraz. d6-dmso. test 0: 18_18-1H_18-1H.mnova addProperty Origin=Bruker test 0: 18_18-1H_18-1H.mnova addProperty Instrument=spect test 0: 18_18-1H_18-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=DMSO_weak test 0: 18_18-1H_18-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.2344 test 0: 18_18-1H_18-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 18_18-1H_18-1H.mnova addProperty Experiment=1D test 0: 18_18-1H_18-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 18_18-1H_18-1H.mnova addProperty Number of Scans=16 test 0: 18_18-1H_18-1H.mnova addProperty Receiver Gain=207.33 test 0: 18_18-1H_18-1H.mnova addProperty Relaxation Delay=1.0 test 0: 18_18-1H_18-1H.mnova addProperty Pulse Width=11.25 test 0: 18_18-1H_18-1H.mnova addProperty Acquisition Time=2.0447233 test 0: 18_18-1H_18-1H.mnova addProperty IFD.property.dataobject.timestamp=2021-10-20T15:13:00 test 0: 18_18-1H_18-1H.mnova addProperty Acquisition Date=2021-10-20T15:13:00 test 0: 18_18-1H_18-1H.mnova addProperty Modification Date=2021-10-20T15:13:14 test 0: 18_18-1H_18-1H.mnova addProperty Spectrum Quality=0 test 0: 18_18-1H_18-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41240246 test 0: 18_18-1H_18-1H.mnova addProperty Spectral Width=8012.82051282051 test 0: 18_18-1H_18-1H.mnova addProperty Lowest Frequency=-1609.23565521197 test 0: 18_18-1H_18-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 18_18-1H_18-1H.mnova addProperty Acquired Size=16384 test 0: 18_18-1H_18-1H.mnova addProperty Spectral Size=65536 test 0: 18_18-1H_18-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 18_18-1H_18-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 18_18-1H_18-1H.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 18/18-1H/18-1H.zip|70/ test 0: Phase 2.1 checking zip directory: 8 18/18-1H/18-1H.zip|70/pdata/ test 0: Phase 2.1 checking zip directory: 9 18/18-1H/18-1H.zip|70/pdata/1/ test 0: !rezip pattern found 18/18-1H/18-1H.zip|70/ [IFDRepresentation type=null ref=[IFDReference Archive::18/18-1H/18-1H.zip|70/ :as::18_18-1H_18-1H.zip..70.zip]] test 0: 18_18-hmbc_18-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 18_18-hmbc_18-hmbc.mnova addProperty Title=Oct20-2021.73.ser test 0: 18_18-hmbc_18-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-106solid Mg+unprotect.-pyrraz. d6-dmso. hmbc test 0: 18_18-hmbc_18-hmbc.mnova addProperty Comment=TM-VI-106solid Mg+unprotect.-pyrraz. d6-dmso. hmbc test 0: 18_18-hmbc_18-hmbc.mnova addProperty Origin=Bruker test 0: 18_18-hmbc_18-hmbc.mnova addProperty Instrument=spect test 0: 18_18-hmbc_18-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=DMSO_weak test 0: 18_18-hmbc_18-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=292.761 test 0: 18_18-hmbc_18-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 18_18-hmbc_18-hmbc.mnova addProperty Experiment=HMBC test 0: 18_18-hmbc_18-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 18_18-hmbc_18-hmbc.mnova addProperty Number of Scans=8 test 0: 18_18-hmbc_18-hmbc.mnova addProperty Receiver Gain=207.33 test 0: 18_18-hmbc_18-hmbc.mnova addProperty Relaxation Delay=1.0 test 0: 18_18-hmbc_18-hmbc.mnova addProperty Pulse Width=11.25 test 0: 18_18-hmbc_18-hmbc.mnova addProperty Acquisition Time=0.08519680000000006 test 0: 18_18-hmbc_18-hmbc.mnova addProperty IFD.property.dataobject.timestamp=2021-10-21T05:00:12 test 0: 18_18-hmbc_18-hmbc.mnova addProperty Acquisition Date=2021-10-21T05:00:12 test 0: 18_18-hmbc_18-hmbc.mnova addProperty Modification Date=2021-10-21T05:19:52 test 0: 18_18-hmbc_18-hmbc.mnova addProperty Spectrum Quality=0 test 0: 18_18-hmbc_18-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.6952553088 test 0: 18_18-hmbc_18-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41280287 test 0: 18_18-hmbc_18-hmbc.mnova addProperty Spectral Width=6009.61538461538 test 0: 18_18-hmbc_18-hmbc.mnova addProperty Lowest Frequency=-201.937692325443 test 0: 18_18-hmbc_18-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 18_18-hmbc_18-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 18_18-hmbc_18-hmbc.mnova addProperty Acquired Size=512 test 0: 18_18-hmbc_18-hmbc.mnova addProperty Spectral Size=512 test 0: 18_18-hmbc_18-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 18_18-hmbc_18-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 18_18-hmbc_18-hmbc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 18_18-13C_18-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 18_18-13C_18-13C.mnova addProperty Title=Oct20-2021.71.fid test 0: 18_18-13C_18-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-106solid Mg+unprotect.-pyrraz. d6-dmso. 13C test 0: 18_18-13C_18-13C.mnova addProperty Comment=TM-VI-106solid Mg+unprotect.-pyrraz. d6-dmso. 13C test 0: 18_18-13C_18-13C.mnova addProperty Origin=Bruker test 0: 18_18-13C_18-13C.mnova addProperty Instrument=spect test 0: 18_18-13C_18-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=DMSO_weak test 0: 18_18-13C_18-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.1558 test 0: 18_18-13C_18-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 18_18-13C_18-13C.mnova addProperty Experiment=1D test 0: 18_18-13C_18-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 18_18-13C_18-13C.mnova addProperty Number of Scans=480 test 0: 18_18-13C_18-13C.mnova addProperty Receiver Gain=207.33 test 0: 18_18-13C_18-13C.mnova addProperty Relaxation Delay=1.0 test 0: 18_18-13C_18-13C.mnova addProperty Pulse Width=9.6 test 0: 18_18-13C_18-13C.mnova addProperty Acquisition Time=0.622592 test 0: 18_18-13C_18-13C.mnova addProperty IFD.property.dataobject.timestamp=2021-10-20T16:59:00 test 0: 18_18-13C_18-13C.mnova addProperty Acquisition Date=2021-10-20T16:59:00 test 0: 18_18-13C_18-13C.mnova addProperty Modification Date=2021-10-20T16:59:12 test 0: 18_18-13C_18-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.694248477066 test 0: 18_18-13C_18-13C.mnova addProperty Spectrum Quality=0 test 0: 18_18-13C_18-13C.mnova addProperty Spectral Width=26315.7894736842 test 0: 18_18-13C_18-13C.mnova addProperty Lowest Frequency=-2129.32059233693 test 0: 18_18-13C_18-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 18_18-13C_18-13C.mnova addProperty Acquired Size=16384 test 0: 18_18-13C_18-13C.mnova addProperty Spectral Size=65536 test 0: 18_18-13C_18-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 18_18-13C_18-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 18_18-13C_18-13C.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 18/18-13C/18-13C.zip|71/ test 0: Phase 2.1 checking zip directory: 10 18/18-13C/18-13C.zip|71/pdata/ test 0: Phase 2.1 checking zip directory: 11 18/18-13C/18-13C.zip|71/pdata/1/ test 0: !rezip pattern found 18/18-13C/18-13C.zip|71/ [IFDRepresentation type=null ref=[IFDReference Archive::18/18-13C/18-13C.zip|71/ :as::18_18-13C_18-13C.zip..71.zip]] test 0: 18_18-hsqc_18-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 18_18-hsqc_18-hsqc.mnova addProperty Title=Oct20-2021.72.ser test 0: 18_18-hsqc_18-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-106solid Mg+unprotect.-pyrraz. d6-dmso. HMQC test 0: 18_18-hsqc_18-hsqc.mnova addProperty Comment=TM-VI-106solid Mg+unprotect.-pyrraz. d6-dmso. HMQC test 0: 18_18-hsqc_18-hsqc.mnova addProperty Origin=Bruker test 0: 18_18-hsqc_18-hsqc.mnova addProperty Instrument=spect test 0: 18_18-hsqc_18-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=DMSO_weak test 0: 18_18-hsqc_18-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.3602 test 0: 18_18-hsqc_18-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmqcgpqf test 0: 18_18-hsqc_18-hsqc.mnova addProperty Experiment=HMQC test 0: 18_18-hsqc_18-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 18_18-hsqc_18-hsqc.mnova addProperty Number of Scans=4 test 0: 18_18-hsqc_18-hsqc.mnova addProperty Receiver Gain=207.33 test 0: 18_18-hsqc_18-hsqc.mnova addProperty Relaxation Delay=1.0 test 0: 18_18-hsqc_18-hsqc.mnova addProperty Pulse Width=11.25 test 0: 18_18-hsqc_18-hsqc.mnova addProperty Acquisition Time=0.10649599999999994 test 0: 18_18-hsqc_18-hsqc.mnova addProperty IFD.property.dataobject.timestamp=2021-10-20T17:18:37 test 0: 18_18-hsqc_18-hsqc.mnova addProperty Acquisition Date=2021-10-20T17:18:37 test 0: 18_18-hsqc_18-hsqc.mnova addProperty Modification Date=2021-10-20T17:28:11 test 0: 18_18-hsqc_18-hsqc.mnova addProperty Spectrum Quality=0 test 0: 18_18-hsqc_18-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.692234813598 test 0: 18_18-hsqc_18-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41200205 test 0: 18_18-hsqc_18-hsqc.mnova addProperty Spectral Width=4807.69230769231 test 0: 18_18-hsqc_18-hsqc.mnova addProperty Lowest Frequency=-401.796153858833 test 0: 18_18-hsqc_18-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 18_18-hsqc_18-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 18_18-hsqc_18-hsqc.mnova addProperty Acquired Size=512 test 0: 18_18-hsqc_18-hsqc.mnova addProperty Spectral Size=512 test 0: 18_18-hsqc_18-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 18_18-hsqc_18-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 18_18-hsqc_18-hsqc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C15.50 H25 Mg N4 O8 test 0: !Jmol Setting space group name to 88 test 0: !Jmol Setting space group name to HM:I 41/a test 0: !Jmol Setting space group name to Hall:-I 4ad test 0: !Jmol AB2115 test 0: !Jmol 20 bonds read test 0: !Jmol CIF creating molecule for 507 atoms using GEOM_BOND records test 0: !Jmol reading 63 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 63 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C15.50 H25 Mg N4 O8 test 0: !Jmol Setting space group name to 88 test 0: !Jmol Setting space group name to HM:I 41/a test 0: !Jmol Setting space group name to Hall:-I 4ad test 0: !Jmol AB2115 test 0: !Jmol reading 569 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 569 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 3 ms test 0: Phase 2.1 checking zip directory: 429 19/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: Ca An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: (19) ChemDraw can't interpret this label. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 49 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 49 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: Phase 2.1 checking zip directory: 431 19/19-hsqc/ test 0: Phase 2.1 checking zip directory: 434 19/19-13C/ test 0: Phase 2.1 checking zip directory: 436 19/19-X-ray/ test 0: Phase 2.1 checking zip directory: 437 19/19-hmbc/ test 0: Phase 2.1 checking zip directory: 438 19/19-IR/ test 0: Phase 2.1 checking zip directory: 439 19/19-1H/ test 0: Phase 2.1 checking zip directory: 2 19/19-1H/19-1H.zip|20/ test 0: Phase 2.1 checking zip directory: 8 19/19-1H/19-1H.zip|20/pdata/ test 0: Phase 2.1 checking zip directory: 9 19/19-1H/19-1H.zip|20/pdata/1/ test 0: !rezip pattern found 19/19-1H/19-1H.zip|20/ [IFDRepresentation type=null ref=[IFDReference Archive::19/19-1H/19-1H.zip|20/ :as::19_19-1H_19-1H.zip..20.zip]] test 0: 19_19-1H_19-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 19_19-1H_19-1H.mnova addProperty Title=Oct20-2021.20.fid test 0: 19_19-1H_19-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-108solid Ca+pmb-pyrraz. batch 2 test 0: 19_19-1H_19-1H.mnova addProperty Comment=TM-VI-108solid Ca+pmb-pyrraz. batch 2 test 0: 19_19-1H_19-1H.mnova addProperty Origin=Bruker test 0: 19_19-1H_19-1H.mnova addProperty Instrument=spect test 0: 19_19-1H_19-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 19_19-1H_19-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.4432 test 0: 19_19-1H_19-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 19_19-1H_19-1H.mnova addProperty Experiment=1D test 0: 19_19-1H_19-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 19_19-1H_19-1H.mnova addProperty Number of Scans=16 test 0: 19_19-1H_19-1H.mnova addProperty Receiver Gain=177.81 test 0: 19_19-1H_19-1H.mnova addProperty Relaxation Delay=1.0 test 0: 19_19-1H_19-1H.mnova addProperty Pulse Width=10.0 test 0: 19_19-1H_19-1H.mnova addProperty Acquisition Time=2.0447233 test 0: 19_19-1H_19-1H.mnova addProperty IFD.property.dataobject.timestamp=2021-10-20T15:58:00 test 0: 19_19-1H_19-1H.mnova addProperty Acquisition Date=2021-10-20T15:58:00 test 0: 19_19-1H_19-1H.mnova addProperty Modification Date=2021-10-20T15:58:39 test 0: 19_19-1H_19-1H.mnova addProperty Spectrum Quality=0 test 0: 19_19-1H_19-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2024012 test 0: 19_19-1H_19-1H.mnova addProperty Spectral Width=8012.8205128205 test 0: 19_19-1H_19-1H.mnova addProperty Lowest Frequency=-1612.45386155243 test 0: 19_19-1H_19-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 19_19-1H_19-1H.mnova addProperty Acquired Size=16384 test 0: 19_19-1H_19-1H.mnova addProperty Spectral Size=65536 test 0: 19_19-1H_19-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 19_19-1H_19-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 19_19-1H_19-1H.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 19_19-hmbc_19-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 19_19-hmbc_19-hmbc.mnova addProperty Title=Oct20-2021.22.ser test 0: 19_19-hmbc_19-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-108solid Ca+pmb-pyrraz. batch 2 hmbc test 0: 19_19-hmbc_19-hmbc.mnova addProperty Comment=TM-VI-108solid Ca+pmb-pyrraz. batch 2 hmbc test 0: 19_19-hmbc_19-hmbc.mnova addProperty Origin=Bruker test 0: 19_19-hmbc_19-hmbc.mnova addProperty Instrument=spect test 0: 19_19-hmbc_19-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 19_19-hmbc_19-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.4471 test 0: 19_19-hmbc_19-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 19_19-hmbc_19-hmbc.mnova addProperty Experiment=HMBC test 0: 19_19-hmbc_19-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 19_19-hmbc_19-hmbc.mnova addProperty Number of Scans=8 test 0: 19_19-hmbc_19-hmbc.mnova addProperty Receiver Gain=199.33 test 0: 19_19-hmbc_19-hmbc.mnova addProperty Relaxation Delay=1.0 test 0: 19_19-hmbc_19-hmbc.mnova addProperty Pulse Width=10.0 test 0: 19_19-hmbc_19-hmbc.mnova addProperty Acquisition Time=0.08519680000000006 test 0: 19_19-hmbc_19-hmbc.mnova addProperty IFD.property.dataobject.timestamp=2021-10-21T01:48:39 test 0: 19_19-hmbc_19-hmbc.mnova addProperty Acquisition Date=2021-10-21T01:48:39 test 0: 19_19-hmbc_19-hmbc.mnova addProperty Modification Date=2021-10-21T02:08:19 test 0: 19_19-hmbc_19-hmbc.mnova addProperty Spectrum Quality=0 test 0: 19_19-hmbc_19-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.642445764415 test 0: 19_19-hmbc_19-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2028014 test 0: 19_19-hmbc_19-hmbc.mnova addProperty Spectral Width=6009.6153846154 test 0: 19_19-hmbc_19-hmbc.mnova addProperty Lowest Frequency=-203.407692297863 test 0: 19_19-hmbc_19-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 19_19-hmbc_19-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 19_19-hmbc_19-hmbc.mnova addProperty Acquired Size=512 test 0: 19_19-hmbc_19-hmbc.mnova addProperty Spectral Size=512 test 0: 19_19-hmbc_19-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 19_19-hmbc_19-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 19_19-hmbc_19-hmbc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C32 H42 Ca N4 O10 test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2119 test 0: !Jmol 29 bonds read test 0: !Jmol CIF creating molecule for 90 atoms using GEOM_BOND records test 0: !Jmol reading 45 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 45 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C32 H42 Ca N4 O10 test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2119 test 0: !Jmol reading 98 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 98 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 1 ms test 0: 19_19-13C_19-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 19_19-13C_19-13C.mnova addProperty Title=Oct20-2021.21.fid test 0: 19_19-13C_19-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-108solid Ca+pmb-pyrraz. batch 2 13C test 0: 19_19-13C_19-13C.mnova addProperty Comment=TM-VI-108solid Ca+pmb-pyrraz. batch 2 13C test 0: 19_19-13C_19-13C.mnova addProperty Origin=Bruker test 0: 19_19-13C_19-13C.mnova addProperty Instrument=spect test 0: 19_19-13C_19-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 19_19-13C_19-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.6776 test 0: 19_19-13C_19-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 19_19-13C_19-13C.mnova addProperty Experiment=1D test 0: 19_19-13C_19-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 19_19-13C_19-13C.mnova addProperty Number of Scans=1200 test 0: 19_19-13C_19-13C.mnova addProperty Receiver Gain=199.33 test 0: 19_19-13C_19-13C.mnova addProperty Relaxation Delay=1.0 test 0: 19_19-13C_19-13C.mnova addProperty Pulse Width=10.8 test 0: 19_19-13C_19-13C.mnova addProperty Acquisition Time=0.5767168 test 0: 19_19-13C_19-13C.mnova addProperty IFD.property.dataobject.timestamp=2021-10-21T01:48:00 test 0: 19_19-13C_19-13C.mnova addProperty Acquisition Date=2021-10-21T01:48:00 test 0: 19_19-13C_19-13C.mnova addProperty Modification Date=2021-10-21T01:48:03 test 0: 19_19-13C_19-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.641439460712 test 0: 19_19-13C_19-13C.mnova addProperty Spectrum Quality=0 test 0: 19_19-13C_19-13C.mnova addProperty Spectral Width=28409.090909091 test 0: 19_19-13C_19-13C.mnova addProperty Lowest Frequency=-3046.82447871086 test 0: 19_19-13C_19-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 19_19-13C_19-13C.mnova addProperty Acquired Size=16384 test 0: 19_19-13C_19-13C.mnova addProperty Spectral Size=65536 test 0: 19_19-13C_19-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 19_19-13C_19-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 19_19-13C_19-13C.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 19/19-13C/19-13C.zip|21/ test 0: Phase 2.1 checking zip directory: 9 19/19-13C/19-13C.zip|21/pdata/ test 0: Phase 2.1 checking zip directory: 10 19/19-13C/19-13C.zip|21/pdata/1/ test 0: !rezip pattern found 19/19-13C/19-13C.zip|21/ [IFDRepresentation type=null ref=[IFDReference Archive::19/19-13C/19-13C.zip|21/ :as::19_19-13C_19-13C.zip..21.zip]] test 0: 19_19-hsqc_19-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 19_19-hsqc_19-hsqc.mnova addProperty Title=Oct20-2021.23.ser test 0: 19_19-hsqc_19-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-108solid Ca+pmb-pyrraz. batch 2 hsqc test 0: 19_19-hsqc_19-hsqc.mnova addProperty Comment=TM-VI-108solid Ca+pmb-pyrraz. batch 2 hsqc test 0: 19_19-hsqc_19-hsqc.mnova addProperty Origin=Bruker test 0: 19_19-hsqc_19-hsqc.mnova addProperty Instrument=spect test 0: 19_19-hsqc_19-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 19_19-hsqc_19-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=293.5991 test 0: 19_19-hsqc_19-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hsqcedetgpsisp2.3 test 0: 19_19-hsqc_19-hsqc.mnova addProperty Experiment=HSQC-EDITED test 0: 19_19-hsqc_19-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 19_19-hsqc_19-hsqc.mnova addProperty Number of Scans=8 test 0: 19_19-hsqc_19-hsqc.mnova addProperty Receiver Gain=199.33 test 0: 19_19-hsqc_19-hsqc.mnova addProperty Relaxation Delay=1.5 test 0: 19_19-hsqc_19-hsqc.mnova addProperty Pulse Width=10.0 test 0: 19_19-hsqc_19-hsqc.mnova addProperty Acquisition Time=0.079872 test 0: 19_19-hsqc_19-hsqc.mnova addProperty IFD.property.dataobject.timestamp=2021-10-21T02:10:00 test 0: 19_19-hsqc_19-hsqc.mnova addProperty Acquisition Date=2021-10-21T02:10:00 test 0: 19_19-hsqc_19-hsqc.mnova addProperty Modification Date=2021-10-21T02:57:25 test 0: 19_19-hsqc_19-hsqc.mnova addProperty Spectrum Quality=0 test 0: 19_19-hsqc_19-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.641439380704 test 0: 19_19-hsqc_19-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2028014 test 0: 19_19-hsqc_19-hsqc.mnova addProperty Spectral Width=6410.25641025643 test 0: 19_19-hsqc_19-hsqc.mnova addProperty Lowest Frequency=-403.728205118381 test 0: 19_19-hsqc_19-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 19_19-hsqc_19-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 19_19-hsqc_19-hsqc.mnova addProperty Acquired Size=512 test 0: 19_19-hsqc_19-hsqc.mnova addProperty Spectral Size=512 test 0: 19_19-hsqc_19-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 19_19-hsqc_19-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 19_19-hsqc_19-hsqc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 459 20/ test 0: Phase 2.1 checking zip directory: 460 20/20-1H/ test 0: Phase 2.1 checking zip directory: 461 20/20-13C/ test 0: Phase 2.1 checking zip directory: 463 20/20-IR/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: Ca An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: OH2 An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: (20) ChemDraw can't interpret this label. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 40 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 40 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: Phase 2.1 checking zip directory: 465 20/20-X-ray/ test 0: Phase 2.1 checking zip directory: 467 20/20-hmbc/ test 0: Phase 2.1 checking zip directory: 468 20/20-hsqc/ test 0: 20_20-hsqc_20-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 20_20-hsqc_20-hsqc.mnova addProperty Title=Oct20-2021.33.ser test 0: 20_20-hsqc_20-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-107solid Ca+Ph-pyrraz. 13C hsqc test 0: 20_20-hsqc_20-hsqc.mnova addProperty Comment=TM-VI-107solid Ca+Ph-pyrraz. 13C hsqc test 0: 20_20-hsqc_20-hsqc.mnova addProperty Origin=Bruker test 0: 20_20-hsqc_20-hsqc.mnova addProperty Instrument=spect test 0: 20_20-hsqc_20-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 20_20-hsqc_20-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=292.9871 test 0: 20_20-hsqc_20-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hsqcedetgpsisp2.3 test 0: 20_20-hsqc_20-hsqc.mnova addProperty Experiment=HSQC-EDITED test 0: 20_20-hsqc_20-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 20_20-hsqc_20-hsqc.mnova addProperty Number of Scans=8 test 0: 20_20-hsqc_20-hsqc.mnova addProperty Receiver Gain=199.33 test 0: 20_20-hsqc_20-hsqc.mnova addProperty Relaxation Delay=1.5 test 0: 20_20-hsqc_20-hsqc.mnova addProperty Pulse Width=10.0 test 0: 20_20-hsqc_20-hsqc.mnova addProperty Acquisition Time=0.079872 test 0: 20_20-hsqc_20-hsqc.mnova addProperty IFD.property.dataobject.timestamp=2021-10-21T03:54:00 test 0: 20_20-hsqc_20-hsqc.mnova addProperty Acquisition Date=2021-10-21T03:54:00 test 0: 20_20-hsqc_20-hsqc.mnova addProperty Modification Date=2021-10-21T04:41:42 test 0: 20_20-hsqc_20-hsqc.mnova addProperty Spectrum Quality=0 test 0: 20_20-hsqc_20-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.641439380704 test 0: 20_20-hsqc_20-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2028014 test 0: 20_20-hsqc_20-hsqc.mnova addProperty Spectral Width=6410.25641025643 test 0: 20_20-hsqc_20-hsqc.mnova addProperty Lowest Frequency=-403.728205118381 test 0: 20_20-hsqc_20-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 20_20-hsqc_20-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 20_20-hsqc_20-hsqc.mnova addProperty Acquired Size=512 test 0: 20_20-hsqc_20-hsqc.mnova addProperty Spectral Size=512 test 0: 20_20-hsqc_20-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 20_20-hsqc_20-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 20_20-hsqc_20-hsqc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 20_20-hmbc_20-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 20_20-hmbc_20-hmbc.mnova addProperty Title=Oct20-2021.32.ser test 0: 20_20-hmbc_20-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-107solid Ca+Ph-pyrraz. 13C hmbc test 0: 20_20-hmbc_20-hmbc.mnova addProperty Comment=TM-VI-107solid Ca+Ph-pyrraz. 13C hmbc test 0: 20_20-hmbc_20-hmbc.mnova addProperty Origin=Bruker test 0: 20_20-hmbc_20-hmbc.mnova addProperty Instrument=spect test 0: 20_20-hmbc_20-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 20_20-hmbc_20-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=293.8455 test 0: 20_20-hmbc_20-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 20_20-hmbc_20-hmbc.mnova addProperty Experiment=HMBC test 0: 20_20-hmbc_20-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 20_20-hmbc_20-hmbc.mnova addProperty Number of Scans=8 test 0: 20_20-hmbc_20-hmbc.mnova addProperty Receiver Gain=199.33 test 0: 20_20-hmbc_20-hmbc.mnova addProperty Relaxation Delay=1.0 test 0: 20_20-hmbc_20-hmbc.mnova addProperty Pulse Width=10.0 test 0: 20_20-hmbc_20-hmbc.mnova addProperty Acquisition Time=0.08519680000000006 test 0: 20_20-hmbc_20-hmbc.mnova addProperty IFD.property.dataobject.timestamp=2021-10-21T03:32:50 test 0: 20_20-hmbc_20-hmbc.mnova addProperty Acquisition Date=2021-10-21T03:32:50 test 0: 20_20-hmbc_20-hmbc.mnova addProperty Modification Date=2021-10-21T03:52:30 test 0: 20_20-hmbc_20-hmbc.mnova addProperty Spectrum Quality=0 test 0: 20_20-hmbc_20-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.642445764415 test 0: 20_20-hmbc_20-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2028014 test 0: 20_20-hmbc_20-hmbc.mnova addProperty Spectral Width=6009.6153846154 test 0: 20_20-hmbc_20-hmbc.mnova addProperty Lowest Frequency=-203.407692297863 test 0: 20_20-hmbc_20-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 20_20-hmbc_20-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 20_20-hmbc_20-hmbc.mnova addProperty Acquired Size=512 test 0: 20_20-hmbc_20-hmbc.mnova addProperty Spectral Size=512 test 0: 20_20-hmbc_20-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 20_20-hmbc_20-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 20_20-hmbc_20-hmbc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C52 H60 Ca2 N8 O16 test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2117 test 0: !Jmol 49 bonds read test 0: !Jmol CIF creating molecule for 152 atoms using GEOM_BOND records test 0: !Jmol reading 152 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 152 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C52 H60 Ca2 N8 O16 test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2117 test 0: !Jmol reading 166 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 166 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 9 ms test 0: 20_20-13C_20-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 20_20-13C_20-13C.mnova addProperty Title=Oct20-2021.31.fid test 0: 20_20-13C_20-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-107solid Ca+Ph-pyrraz. 13C test 0: 20_20-13C_20-13C.mnova addProperty Comment=TM-VI-107solid Ca+Ph-pyrraz. 13C test 0: 20_20-13C_20-13C.mnova addProperty Origin=Bruker test 0: 20_20-13C_20-13C.mnova addProperty Instrument=spect test 0: 20_20-13C_20-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 20_20-13C_20-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.079 test 0: 20_20-13C_20-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 20_20-13C_20-13C.mnova addProperty Experiment=1D test 0: 20_20-13C_20-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 20_20-13C_20-13C.mnova addProperty Number of Scans=1200 test 0: 20_20-13C_20-13C.mnova addProperty Receiver Gain=199.33 test 0: 20_20-13C_20-13C.mnova addProperty Relaxation Delay=1.0 test 0: 20_20-13C_20-13C.mnova addProperty Pulse Width=10.8 test 0: 20_20-13C_20-13C.mnova addProperty Acquisition Time=0.5767168 test 0: 20_20-13C_20-13C.mnova addProperty IFD.property.dataobject.timestamp=2021-10-21T03:32:00 test 0: 20_20-13C_20-13C.mnova addProperty Acquisition Date=2021-10-21T03:32:00 test 0: 20_20-13C_20-13C.mnova addProperty Modification Date=2021-10-21T03:32:14 test 0: 20_20-13C_20-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.641439460712 test 0: 20_20-13C_20-13C.mnova addProperty Spectrum Quality=0 test 0: 20_20-13C_20-13C.mnova addProperty Spectral Width=28409.090909091 test 0: 20_20-13C_20-13C.mnova addProperty Lowest Frequency=-3047.09617260252 test 0: 20_20-13C_20-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 20_20-13C_20-13C.mnova addProperty Acquired Size=16384 test 0: 20_20-13C_20-13C.mnova addProperty Spectral Size=65536 test 0: 20_20-13C_20-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 20_20-13C_20-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 20_20-13C_20-13C.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 20/20-13C/20-13C.zip|31/ test 0: Phase 2.1 checking zip directory: 9 20/20-13C/20-13C.zip|31/pdata/ test 0: Phase 2.1 checking zip directory: 10 20/20-13C/20-13C.zip|31/pdata/1/ test 0: !rezip pattern found 20/20-13C/20-13C.zip|31/ [IFDRepresentation type=null ref=[IFDReference Archive::20/20-13C/20-13C.zip|31/ :as::20_20-13C_20-13C.zip..31.zip]] test 0: Phase 2.1 checking zip directory: 2 20/20-1H/20-1H.zip|30/ test 0: Phase 2.1 checking zip directory: 8 20/20-1H/20-1H.zip|30/pdata/ test 0: Phase 2.1 checking zip directory: 9 20/20-1H/20-1H.zip|30/pdata/1/ test 0: !rezip pattern found 20/20-1H/20-1H.zip|30/ [IFDRepresentation type=null ref=[IFDReference Archive::20/20-1H/20-1H.zip|30/ :as::20_20-1H_20-1H.zip..30.zip]] test 0: 20_20-1H_20-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 20_20-1H_20-1H.mnova addProperty Title=Oct20-2021.30.fid test 0: 20_20-1H_20-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-107solid Ca+Ph-pyrraz. test 0: 20_20-1H_20-1H.mnova addProperty Comment=TM-VI-107solid Ca+Ph-pyrraz. test 0: 20_20-1H_20-1H.mnova addProperty Origin=Bruker test 0: 20_20-1H_20-1H.mnova addProperty Instrument=spect test 0: 20_20-1H_20-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 20_20-1H_20-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.446 test 0: 20_20-1H_20-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 20_20-1H_20-1H.mnova addProperty Experiment=1D test 0: 20_20-1H_20-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 20_20-1H_20-1H.mnova addProperty Number of Scans=16 test 0: 20_20-1H_20-1H.mnova addProperty Receiver Gain=199.33 test 0: 20_20-1H_20-1H.mnova addProperty Relaxation Delay=1.0 test 0: 20_20-1H_20-1H.mnova addProperty Pulse Width=10.0 test 0: 20_20-1H_20-1H.mnova addProperty Acquisition Time=2.0447233 test 0: 20_20-1H_20-1H.mnova addProperty IFD.property.dataobject.timestamp=2021-10-20T16:01:00 test 0: 20_20-1H_20-1H.mnova addProperty Acquisition Date=2021-10-20T16:01:00 test 0: 20_20-1H_20-1H.mnova addProperty Modification Date=2021-10-20T16:01:37 test 0: 20_20-1H_20-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2024012 test 0: 20_20-1H_20-1H.mnova addProperty Spectrum Quality=0 test 0: 20_20-1H_20-1H.mnova addProperty Spectral Width=8012.8205128205 test 0: 20_20-1H_20-1H.mnova addProperty Lowest Frequency=-1612.25376196263 test 0: 20_20-1H_20-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 20_20-1H_20-1H.mnova addProperty Acquired Size=16384 test 0: 20_20-1H_20-1H.mnova addProperty Spectral Size=65536 test 0: 20_20-1H_20-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 20_20-1H_20-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 20_20-1H_20-1H.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 489 21/ test 0: Phase 2.1 checking zip directory: 490 21/21-13C/ test 0: Phase 2.1 checking zip directory: 492 21/21-IR/ test 0: Phase 2.1 checking zip directory: 493 21/21-X-ray/ test 0: Phase 2.1 checking zip directory: 494 21/21-1H/ test 0: Phase 2.1 checking zip directory: 495 21/21-cosy/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: Ca An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: (21) ChemDraw can't interpret this label. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 55 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 55 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: Phase 2.1 checking zip directory: 500 21/21-hmbc/ test 0: Phase 2.1 checking zip directory: 501 21/21-hsqc/ test 0: 21_21-hsqc_21-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 21_21-hsqc_21-hsqc.mnova addProperty Title=Nov18-2021.62.ser test 0: 21_21-hsqc_21-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-170 acetone-d6 Ca+Bz-pyr. hsqc test 0: 21_21-hsqc_21-hsqc.mnova addProperty Comment=TM-VI-170 acetone-d6 Ca+Bz-pyr. hsqc test 0: 21_21-hsqc_21-hsqc.mnova addProperty Origin=Bruker test 0: 21_21-hsqc_21-hsqc.mnova addProperty Instrument=spect test 0: 21_21-hsqc_21-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 21_21-hsqc_21-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.4776 test 0: 21_21-hsqc_21-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hsqcetgpsi2.ph test 0: 21_21-hsqc_21-hsqc.mnova addProperty Experiment=HSQC test 0: 21_21-hsqc_21-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 21_21-hsqc_21-hsqc.mnova addProperty Number of Scans=2 test 0: 21_21-hsqc_21-hsqc.mnova addProperty Receiver Gain=199.33 test 0: 21_21-hsqc_21-hsqc.mnova addProperty Relaxation Delay=1.0 test 0: 21_21-hsqc_21-hsqc.mnova addProperty Pulse Width=10.0 test 0: 21_21-hsqc_21-hsqc.mnova addProperty Acquisition Time=0.1142784 test 0: 21_21-hsqc_21-hsqc.mnova addProperty IFD.property.dataobject.timestamp=2021-11-18T14:29:00 test 0: 21_21-hsqc_21-hsqc.mnova addProperty Acquisition Date=2021-11-18T14:29:00 test 0: 21_21-hsqc_21-hsqc.mnova addProperty Modification Date=2021-11-18T14:38:58 test 0: 21_21-hsqc_21-hsqc.mnova addProperty Spectrum Quality=0 test 0: 21_21-hsqc_21-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.641439460712 test 0: 21_21-hsqc_21-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.202001 test 0: 21_21-hsqc_21-hsqc.mnova addProperty Spectral Width=4480.28673835127 test 0: 21_21-hsqc_21-hsqc.mnova addProperty Lowest Frequency=-239.143369168609 test 0: 21_21-hsqc_21-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 21_21-hsqc_21-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 21_21-hsqc_21-hsqc.mnova addProperty Acquired Size=512 test 0: 21_21-hsqc_21-hsqc.mnova addProperty Spectral Size=512 test 0: 21_21-hsqc_21-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 21_21-hsqc_21-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 21_21-hsqc_21-hsqc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 21_21-hmbc_21-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 21_21-hmbc_21-hmbc.mnova addProperty Title=Nov18-2021.64.ser test 0: 21_21-hmbc_21-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-170 acetone-d6 Ca+Bz-pyr. hmbc test 0: 21_21-hmbc_21-hmbc.mnova addProperty Comment=TM-VI-170 acetone-d6 Ca+Bz-pyr. hmbc test 0: 21_21-hmbc_21-hmbc.mnova addProperty Origin=Bruker test 0: 21_21-hmbc_21-hmbc.mnova addProperty Instrument=spect test 0: 21_21-hmbc_21-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 21_21-hmbc_21-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.1591 test 0: 21_21-hmbc_21-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 21_21-hmbc_21-hmbc.mnova addProperty Experiment=HMBC test 0: 21_21-hmbc_21-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 21_21-hmbc_21-hmbc.mnova addProperty Number of Scans=8 test 0: 21_21-hmbc_21-hmbc.mnova addProperty Receiver Gain=199.33 test 0: 21_21-hmbc_21-hmbc.mnova addProperty Relaxation Delay=1.0 test 0: 21_21-hmbc_21-hmbc.mnova addProperty Pulse Width=10.0 test 0: 21_21-hmbc_21-hmbc.mnova addProperty Acquisition Time=0.08519680000000006 test 0: 21_21-hmbc_21-hmbc.mnova addProperty IFD.property.dataobject.timestamp=2021-11-18T23:29:41 test 0: 21_21-hmbc_21-hmbc.mnova addProperty Acquisition Date=2021-11-18T23:29:41 test 0: 21_21-hmbc_21-hmbc.mnova addProperty Modification Date=2021-11-18T23:49:21 test 0: 21_21-hmbc_21-hmbc.mnova addProperty Spectrum Quality=0 test 0: 21_21-hmbc_21-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.642445764415 test 0: 21_21-hmbc_21-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2028014 test 0: 21_21-hmbc_21-hmbc.mnova addProperty Spectral Width=6009.6153846154 test 0: 21_21-hmbc_21-hmbc.mnova addProperty Lowest Frequency=-203.407692297863 test 0: 21_21-hmbc_21-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 21_21-hmbc_21-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 21_21-hmbc_21-hmbc.mnova addProperty Acquired Size=512 test 0: 21_21-hmbc_21-hmbc.mnova addProperty Spectral Size=512 test 0: 21_21-hmbc_21-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 21_21-hmbc_21-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 21_21-hmbc_21-hmbc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 21/21-1H/21-1H.zip|60/ test 0: Phase 2.1 checking zip directory: 8 21/21-1H/21-1H.zip|60/pdata/ test 0: Phase 2.1 checking zip directory: 9 21/21-1H/21-1H.zip|60/pdata/1/ test 0: !rezip pattern found 21/21-1H/21-1H.zip|60/ [IFDRepresentation type=null ref=[IFDReference Archive::21/21-1H/21-1H.zip|60/ :as::21_21-1H_21-1H.zip..60.zip]] test 0: 21_21-1H_21-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 21_21-1H_21-1H.mnova addProperty Title=Nov18-2021.60.fid test 0: 21_21-1H_21-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-170 acetone-d6 Ca+Bz-pyr. test 0: 21_21-1H_21-1H.mnova addProperty Comment=TM-VI-170 acetone-d6 Ca+Bz-pyr. test 0: 21_21-1H_21-1H.mnova addProperty Origin=Bruker test 0: 21_21-1H_21-1H.mnova addProperty Instrument=spect test 0: 21_21-1H_21-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 21_21-1H_21-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.5617 test 0: 21_21-1H_21-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 21_21-1H_21-1H.mnova addProperty Experiment=1D test 0: 21_21-1H_21-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 21_21-1H_21-1H.mnova addProperty Number of Scans=16 test 0: 21_21-1H_21-1H.mnova addProperty Receiver Gain=199.33 test 0: 21_21-1H_21-1H.mnova addProperty Relaxation Delay=1.0 test 0: 21_21-1H_21-1H.mnova addProperty Pulse Width=10.0 test 0: 21_21-1H_21-1H.mnova addProperty Acquisition Time=2.0447233 test 0: 21_21-1H_21-1H.mnova addProperty IFD.property.dataobject.timestamp=2021-11-18T13:23:00 test 0: 21_21-1H_21-1H.mnova addProperty Acquisition Date=2021-11-18T13:23:00 test 0: 21_21-1H_21-1H.mnova addProperty Modification Date=2021-11-18T13:23:03 test 0: 21_21-1H_21-1H.mnova addProperty Spectrum Quality=0 test 0: 21_21-1H_21-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2024012 test 0: 21_21-1H_21-1H.mnova addProperty Spectral Width=8012.8205128205 test 0: 21_21-1H_21-1H.mnova addProperty Lowest Frequency=-1612.37382171651 test 0: 21_21-1H_21-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 21_21-1H_21-1H.mnova addProperty Acquired Size=16384 test 0: 21_21-1H_21-1H.mnova addProperty Spectral Size=65536 test 0: 21_21-1H_21-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 21_21-1H_21-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 21_21-1H_21-1H.mnova addProperty mnovaVersion=14.1.1-24571 test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C40 H42 Ca N4 O8 test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2144 test 0: !Jmol 33 bonds read test 0: !Jmol CIF creating molecule for 96 atoms using GEOM_BOND records test 0: !Jmol reading 48 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 48 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C40 H42 Ca N4 O8 test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2144 test 0: !Jmol reading 108 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 108 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 2 ms test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: Ca An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 55 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 55 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: 21_21-13C_21-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 21_21-13C_21-13C.mnova addProperty Title=Feb21-2022.1.fid test 0: 21_21-13C_21-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=T Mies TM-VI-170 in d6-acetone ; 13C{1H} spectrum using DRX400 ; Feb21-2022/1 test 0: 21_21-13C_21-13C.mnova addProperty Comment=T Mies TM-VI-170 in d6-acetone ; 13C{1H} spectrum using DRX400 ; Feb21-2022/1 test 0: 21_21-13C_21-13C.mnova addProperty Origin=Bruker test 0: 21_21-13C_21-13C.mnova addProperty Instrument=spect test 0: 21_21-13C_21-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 21_21-13C_21-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=353.0 test 0: 21_21-13C_21-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 21_21-13C_21-13C.mnova addProperty Experiment=1D test 0: 21_21-13C_21-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z824801/0142 test 0: 21_21-13C_21-13C.mnova addProperty Number of Scans=32878 test 0: 21_21-13C_21-13C.mnova addProperty Receiver Gain=322.5 test 0: 21_21-13C_21-13C.mnova addProperty Relaxation Delay=1.0 test 0: 21_21-13C_21-13C.mnova addProperty Pulse Width=11.0 test 0: 21_21-13C_21-13C.mnova addProperty Acquisition Time=0.5799935999999993 test 0: 21_21-13C_21-13C.mnova addProperty IFD.property.dataobject.timestamp=2022-02-21T18:46:28 test 0: 21_21-13C_21-13C.mnova addProperty Acquisition Date=2022-02-21T18:46:28 test 0: 21_21-13C_21-13C.mnova addProperty Modification Date=2022-02-22T09:46:45 test 0: 21_21-13C_21-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.601458309991 test 0: 21_21-13C_21-13C.mnova addProperty Spectrum Quality=0 test 0: 21_21-13C_21-13C.mnova addProperty Spectral Width=28248.5875706215 test 0: 21_21-13C_21-13C.mnova addProperty Lowest Frequency=-3971.38442853559 test 0: 21_21-13C_21-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 21_21-13C_21-13C.mnova addProperty Acquired Size=16384 test 0: 21_21-13C_21-13C.mnova addProperty Spectral Size=65536 test 0: 21_21-13C_21-13C.mnova addProperty Digital Resolution=0.431039239053673 test 0: 21_21-13C_21-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 21_21-13C_21-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 21_21-13C_21-13C.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 21/21-13C/21-13C.zip|1/ test 0: Phase 2.1 checking zip directory: 9 21/21-13C/21-13C.zip|1/pdata/ test 0: Phase 2.1 checking zip directory: 10 21/21-13C/21-13C.zip|1/pdata/1/ test 0: !rezip pattern found 21/21-13C/21-13C.zip|1/ [IFDRepresentation type=null ref=[IFDReference Archive::21/21-13C/21-13C.zip|1/ :as::21_21-13C_21-13C.zip..1.zip]] test 0: Phase 2.1 checking zip directory: 525 24/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: OH2 An atom in this label has an invalid valence. test 0: !Jmol Warning: (24) ChemDraw can't interpret this label. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 53 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 53 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: Phase 2.1 checking zip directory: 527 24/24-hmbc/ test 0: Phase 2.1 checking zip directory: 528 24/24-1H/ test 0: Phase 2.1 checking zip directory: 530 24/24-13C/ test 0: Phase 2.1 checking zip directory: 531 24/24-IR/ test 0: Phase 2.1 checking zip directory: 532 24/24-X-ray/ test 0: Phase 2.1 checking zip directory: 533 24/24-hsqc/ test 0: Phase 2.1 checking zip directory: 537 24/24-cosy/ test 0: 24_24-hsqc_24-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 24_24-hsqc_24-hsqc.mnova addProperty Title=Oct25-2021.42.ser test 0: 24_24-hsqc_24-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-136solid hsqc test 0: 24_24-hsqc_24-hsqc.mnova addProperty Comment=TM-VI-136solid hsqc test 0: 24_24-hsqc_24-hsqc.mnova addProperty Origin=Bruker test 0: 24_24-hsqc_24-hsqc.mnova addProperty Instrument=spect test 0: 24_24-hsqc_24-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 24_24-hsqc_24-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=293.7746 test 0: 24_24-hsqc_24-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hsqcetgpsi2.ph test 0: 24_24-hsqc_24-hsqc.mnova addProperty Experiment=HSQC test 0: 24_24-hsqc_24-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 24_24-hsqc_24-hsqc.mnova addProperty Number of Scans=2 test 0: 24_24-hsqc_24-hsqc.mnova addProperty Receiver Gain=199.33 test 0: 24_24-hsqc_24-hsqc.mnova addProperty Relaxation Delay=1.0 test 0: 24_24-hsqc_24-hsqc.mnova addProperty Pulse Width=10.0 test 0: 24_24-hsqc_24-hsqc.mnova addProperty Acquisition Time=0.1142784 test 0: 24_24-hsqc_24-hsqc.mnova addProperty IFD.property.dataobject.timestamp=2021-10-25T17:13:00 test 0: 24_24-hsqc_24-hsqc.mnova addProperty Acquisition Date=2021-10-25T17:13:00 test 0: 24_24-hsqc_24-hsqc.mnova addProperty Modification Date=2021-10-25T17:22:38 test 0: 24_24-hsqc_24-hsqc.mnova addProperty Spectrum Quality=0 test 0: 24_24-hsqc_24-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.641439460712 test 0: 24_24-hsqc_24-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.202001 test 0: 24_24-hsqc_24-hsqc.mnova addProperty Spectral Width=4480.28673835127 test 0: 24_24-hsqc_24-hsqc.mnova addProperty Lowest Frequency=-239.143369168609 test 0: 24_24-hsqc_24-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 24_24-hsqc_24-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 24_24-hsqc_24-hsqc.mnova addProperty Acquired Size=512 test 0: 24_24-hsqc_24-hsqc.mnova addProperty Spectral Size=512 test 0: 24_24-hsqc_24-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 24_24-hsqc_24-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 24_24-hsqc_24-hsqc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C36 H35 N6 O10 Sc test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2123 test 0: !Jmol 61 bonds read test 0: !Jmol CIF creating molecule for 176 atoms using GEOM_BOND records test 0: !Jmol reading 88 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 88 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 8 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C36 H35 N6 O10 Sc test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2123 test 0: !Jmol reading 200 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 200 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 2 ms test 0: Phase 2.1 checking zip directory: 2 24/24-13C/24-13C.zip|44/ test 0: Phase 2.1 checking zip directory: 9 24/24-13C/24-13C.zip|44/pdata/ test 0: Phase 2.1 checking zip directory: 10 24/24-13C/24-13C.zip|44/pdata/1/ test 0: !rezip pattern found 24/24-13C/24-13C.zip|44/ [IFDRepresentation type=null ref=[IFDReference Archive::24/24-13C/24-13C.zip|44/ :as::24_24-13C_24-13C.zip..44.zip]] test 0: 24_24-13C_24-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 24_24-13C_24-13C.mnova addProperty Title=Oct25-2021.44.fid test 0: 24_24-13C_24-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-136solid 13C test 0: 24_24-13C_24-13C.mnova addProperty Comment=TM-VI-136solid 13C test 0: 24_24-13C_24-13C.mnova addProperty Origin=Bruker test 0: 24_24-13C_24-13C.mnova addProperty Instrument=spect test 0: 24_24-13C_24-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 24_24-13C_24-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=293.9283 test 0: 24_24-13C_24-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 24_24-13C_24-13C.mnova addProperty Experiment=1D test 0: 24_24-13C_24-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 24_24-13C_24-13C.mnova addProperty Number of Scans=1200 test 0: 24_24-13C_24-13C.mnova addProperty Receiver Gain=199.33 test 0: 24_24-13C_24-13C.mnova addProperty Relaxation Delay=1.0 test 0: 24_24-13C_24-13C.mnova addProperty Pulse Width=10.8 test 0: 24_24-13C_24-13C.mnova addProperty Acquisition Time=0.5767168 test 0: 24_24-13C_24-13C.mnova addProperty IFD.property.dataobject.timestamp=2021-10-26T00:07:00 test 0: 24_24-13C_24-13C.mnova addProperty Acquisition Date=2021-10-26T00:07:00 test 0: 24_24-13C_24-13C.mnova addProperty Modification Date=2021-10-26T00:07:12 test 0: 24_24-13C_24-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.641439460712 test 0: 24_24-13C_24-13C.mnova addProperty Spectrum Quality=0 test 0: 24_24-13C_24-13C.mnova addProperty Spectral Width=28409.090909091 test 0: 24_24-13C_24-13C.mnova addProperty Lowest Frequency=-3124.5696802288 test 0: 24_24-13C_24-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 24_24-13C_24-13C.mnova addProperty Acquired Size=16384 test 0: 24_24-13C_24-13C.mnova addProperty Spectral Size=65536 test 0: 24_24-13C_24-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 24_24-13C_24-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 24_24-13C_24-13C.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 24_24-1H_24-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 24_24-1H_24-1H.mnova addProperty Title=Oct25-2021.40.fid test 0: 24_24-1H_24-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-136solid test 0: 24_24-1H_24-1H.mnova addProperty Comment=TM-VI-136solid test 0: 24_24-1H_24-1H.mnova addProperty Origin=Bruker test 0: 24_24-1H_24-1H.mnova addProperty Instrument=spect test 0: 24_24-1H_24-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 24_24-1H_24-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=293.2305 test 0: 24_24-1H_24-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 24_24-1H_24-1H.mnova addProperty Experiment=1D test 0: 24_24-1H_24-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 24_24-1H_24-1H.mnova addProperty Number of Scans=16 test 0: 24_24-1H_24-1H.mnova addProperty Receiver Gain=142.23 test 0: 24_24-1H_24-1H.mnova addProperty Relaxation Delay=1.0 test 0: 24_24-1H_24-1H.mnova addProperty Pulse Width=10.0 test 0: 24_24-1H_24-1H.mnova addProperty Acquisition Time=2.0447233 test 0: 24_24-1H_24-1H.mnova addProperty IFD.property.dataobject.timestamp=2021-10-25T16:00:00 test 0: 24_24-1H_24-1H.mnova addProperty Acquisition Date=2021-10-25T16:00:00 test 0: 24_24-1H_24-1H.mnova addProperty Modification Date=2021-10-25T16:00:23 test 0: 24_24-1H_24-1H.mnova addProperty Spectrum Quality=0 test 0: 24_24-1H_24-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2024012 test 0: 24_24-1H_24-1H.mnova addProperty Spectral Width=8012.8205128205 test 0: 24_24-1H_24-1H.mnova addProperty Lowest Frequency=-1615.73543998899 test 0: 24_24-1H_24-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 24_24-1H_24-1H.mnova addProperty Acquired Size=16384 test 0: 24_24-1H_24-1H.mnova addProperty Spectral Size=65536 test 0: 24_24-1H_24-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 24_24-1H_24-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 24_24-1H_24-1H.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 24/24-1H/24-1H.zip|40/ test 0: Phase 2.1 checking zip directory: 8 24/24-1H/24-1H.zip|40/pdata/ test 0: Phase 2.1 checking zip directory: 9 24/24-1H/24-1H.zip|40/pdata/1/ test 0: !rezip pattern found 24/24-1H/24-1H.zip|40/ [IFDRepresentation type=null ref=[IFDReference Archive::24/24-1H/24-1H.zip|40/ :as::24_24-1H_24-1H.zip..40.zip]] test 0: 24_24-hmbc_24-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 24_24-hmbc_24-hmbc.mnova addProperty Title=Oct25-2021.43.ser test 0: 24_24-hmbc_24-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-136solid hmbc test 0: 24_24-hmbc_24-hmbc.mnova addProperty Comment=TM-VI-136solid hmbc test 0: 24_24-hmbc_24-hmbc.mnova addProperty Origin=Bruker test 0: 24_24-hmbc_24-hmbc.mnova addProperty Instrument=spect test 0: 24_24-hmbc_24-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 24_24-hmbc_24-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=293.0466 test 0: 24_24-hmbc_24-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 24_24-hmbc_24-hmbc.mnova addProperty Experiment=HMBC test 0: 24_24-hmbc_24-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 24_24-hmbc_24-hmbc.mnova addProperty Number of Scans=8 test 0: 24_24-hmbc_24-hmbc.mnova addProperty Receiver Gain=199.33 test 0: 24_24-hmbc_24-hmbc.mnova addProperty Relaxation Delay=1.0 test 0: 24_24-hmbc_24-hmbc.mnova addProperty Pulse Width=10.0 test 0: 24_24-hmbc_24-hmbc.mnova addProperty Acquisition Time=0.08519680000000006 test 0: 24_24-hmbc_24-hmbc.mnova addProperty IFD.property.dataobject.timestamp=2021-10-25T23:14:28 test 0: 24_24-hmbc_24-hmbc.mnova addProperty Acquisition Date=2021-10-25T23:14:28 test 0: 24_24-hmbc_24-hmbc.mnova addProperty Modification Date=2021-10-25T23:34:08 test 0: 24_24-hmbc_24-hmbc.mnova addProperty Spectrum Quality=0 test 0: 24_24-hmbc_24-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.642445764415 test 0: 24_24-hmbc_24-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2028014 test 0: 24_24-hmbc_24-hmbc.mnova addProperty Spectral Width=6009.6153846154 test 0: 24_24-hmbc_24-hmbc.mnova addProperty Lowest Frequency=-203.407692297863 test 0: 24_24-hmbc_24-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 24_24-hmbc_24-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 24_24-hmbc_24-hmbc.mnova addProperty Acquired Size=512 test 0: 24_24-hmbc_24-hmbc.mnova addProperty Spectral Size=512 test 0: 24_24-hmbc_24-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 24_24-hmbc_24-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 24_24-hmbc_24-hmbc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 24/24-hmbc/24-hmbc.zip|43/ test 0: Phase 2.1 checking zip directory: 10 24/24-hmbc/24-hmbc.zip|43/pdata/ test 0: Phase 2.1 checking zip directory: 11 24/24-hmbc/24-hmbc.zip|43/pdata/1/ test 0: !rezip pattern found 24/24-hmbc/24-hmbc.zip|43/ [IFDRepresentation type=null ref=[IFDReference Archive::24/24-hmbc/24-hmbc.zip|43/ :as::24_24-hmbc_24-hmbc.zip..43.zip]] test 0: Phase 2.1 checking zip directory: 560 25/ test 0: Phase 2.1 checking zip directory: 562 25/25-X-ray/ test 0: Phase 2.1 checking zip directory: 563 25/25-IR/ test 0: Phase 2.1 checking zip directory: 565 25/25-1H/ test 0: Phase 2.1 checking zip directory: 566 25/25-hmbc/ test 0: Phase 2.1 checking zip directory: 567 25/25-13C/ test 0: Phase 2.1 checking zip directory: 568 25/25-hsqc/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 100 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 100 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 2 ms test 0: Phase 2.1 checking zip directory: 572 25/25-cosy/ test 0: 25_25-hsqc_25-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 25_25-hsqc_25-hsqc.mnova addProperty Title=Nov18-2021.72.ser test 0: 25_25-hsqc_25-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-171 CDCl3 Sc+ Bz-pyr. hsqc test 0: 25_25-hsqc_25-hsqc.mnova addProperty Comment=TM-VI-171 CDCl3 Sc+ Bz-pyr. hsqc test 0: 25_25-hsqc_25-hsqc.mnova addProperty Origin=Bruker test 0: 25_25-hsqc_25-hsqc.mnova addProperty Instrument=spect test 0: 25_25-hsqc_25-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 25_25-hsqc_25-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.4427 test 0: 25_25-hsqc_25-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hsqcetgpsi2.ph test 0: 25_25-hsqc_25-hsqc.mnova addProperty Experiment=HSQC test 0: 25_25-hsqc_25-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 25_25-hsqc_25-hsqc.mnova addProperty Number of Scans=2 test 0: 25_25-hsqc_25-hsqc.mnova addProperty Receiver Gain=199.33 test 0: 25_25-hsqc_25-hsqc.mnova addProperty Relaxation Delay=1.0 test 0: 25_25-hsqc_25-hsqc.mnova addProperty Pulse Width=10.0 test 0: 25_25-hsqc_25-hsqc.mnova addProperty Acquisition Time=0.1142784 test 0: 25_25-hsqc_25-hsqc.mnova addProperty IFD.property.dataobject.timestamp=2021-11-18T14:51:00 test 0: 25_25-hsqc_25-hsqc.mnova addProperty Acquisition Date=2021-11-18T14:51:00 test 0: 25_25-hsqc_25-hsqc.mnova addProperty Modification Date=2021-11-18T15:00:58 test 0: 25_25-hsqc_25-hsqc.mnova addProperty Spectrum Quality=0 test 0: 25_25-hsqc_25-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.641439460712 test 0: 25_25-hsqc_25-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.202001 test 0: 25_25-hsqc_25-hsqc.mnova addProperty Spectral Width=4480.28673835127 test 0: 25_25-hsqc_25-hsqc.mnova addProperty Lowest Frequency=-239.143369168609 test 0: 25_25-hsqc_25-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 25_25-hsqc_25-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 25_25-hsqc_25-hsqc.mnova addProperty Acquired Size=512 test 0: 25_25-hsqc_25-hsqc.mnova addProperty Spectral Size=512 test 0: 25_25-hsqc_25-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 25_25-hsqc_25-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 25_25-hsqc_25-hsqc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 25/25-13C/25-13C.zip|73/ test 0: Phase 2.1 checking zip directory: 10 25/25-13C/25-13C.zip|73/pdata/ test 0: Phase 2.1 checking zip directory: 11 25/25-13C/25-13C.zip|73/pdata/1/ test 0: !rezip pattern found 25/25-13C/25-13C.zip|73/ [IFDRepresentation type=null ref=[IFDReference Archive::25/25-13C/25-13C.zip|73/ :as::25_25-13C_25-13C.zip..73.zip]] test 0: 25_25-13C_25-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 25_25-13C_25-13C.mnova addProperty Title=Nov18-2021.73.fid test 0: 25_25-13C_25-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-171 CDCl3 Sc+ Bz-pyr. 13C test 0: 25_25-13C_25-13C.mnova addProperty Comment=TM-VI-171 CDCl3 Sc+ Bz-pyr. 13C test 0: 25_25-13C_25-13C.mnova addProperty Origin=Bruker test 0: 25_25-13C_25-13C.mnova addProperty Instrument=spect test 0: 25_25-13C_25-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 25_25-13C_25-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.4004 test 0: 25_25-13C_25-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 25_25-13C_25-13C.mnova addProperty Experiment=1D test 0: 25_25-13C_25-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 25_25-13C_25-13C.mnova addProperty Number of Scans=1200 test 0: 25_25-13C_25-13C.mnova addProperty Receiver Gain=199.33 test 0: 25_25-13C_25-13C.mnova addProperty Relaxation Delay=1.0 test 0: 25_25-13C_25-13C.mnova addProperty Pulse Width=10.8 test 0: 25_25-13C_25-13C.mnova addProperty Acquisition Time=0.5767168 test 0: 25_25-13C_25-13C.mnova addProperty IFD.property.dataobject.timestamp=2021-11-19T00:25:00 test 0: 25_25-13C_25-13C.mnova addProperty Acquisition Date=2021-11-19T00:25:00 test 0: 25_25-13C_25-13C.mnova addProperty Modification Date=2021-11-19T00:25:49 test 0: 25_25-13C_25-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.641439460712 test 0: 25_25-13C_25-13C.mnova addProperty Spectrum Quality=0 test 0: 25_25-13C_25-13C.mnova addProperty Spectral Width=28409.090909091 test 0: 25_25-13C_25-13C.mnova addProperty Lowest Frequency=-3122.75847332152 test 0: 25_25-13C_25-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 25_25-13C_25-13C.mnova addProperty Acquired Size=16384 test 0: 25_25-13C_25-13C.mnova addProperty Spectral Size=65536 test 0: 25_25-13C_25-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 25_25-13C_25-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 25_25-13C_25-13C.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 25_25-hmbc_25-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 25_25-hmbc_25-hmbc.mnova addProperty Title=Nov18-2021.74.ser test 0: 25_25-hmbc_25-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-171 CDCl3 Sc+ Bz-pyr. hmbc test 0: 25_25-hmbc_25-hmbc.mnova addProperty Comment=TM-VI-171 CDCl3 Sc+ Bz-pyr. hmbc test 0: 25_25-hmbc_25-hmbc.mnova addProperty Origin=Bruker test 0: 25_25-hmbc_25-hmbc.mnova addProperty Instrument=spect test 0: 25_25-hmbc_25-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 25_25-hmbc_25-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.1373 test 0: 25_25-hmbc_25-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 25_25-hmbc_25-hmbc.mnova addProperty Experiment=HMBC test 0: 25_25-hmbc_25-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 25_25-hmbc_25-hmbc.mnova addProperty Number of Scans=8 test 0: 25_25-hmbc_25-hmbc.mnova addProperty Receiver Gain=199.33 test 0: 25_25-hmbc_25-hmbc.mnova addProperty Relaxation Delay=1.0 test 0: 25_25-hmbc_25-hmbc.mnova addProperty Pulse Width=10.0 test 0: 25_25-hmbc_25-hmbc.mnova addProperty Acquisition Time=0.08519680000000006 test 0: 25_25-hmbc_25-hmbc.mnova addProperty IFD.property.dataobject.timestamp=2021-11-19T00:26:25 test 0: 25_25-hmbc_25-hmbc.mnova addProperty Acquisition Date=2021-11-19T00:26:25 test 0: 25_25-hmbc_25-hmbc.mnova addProperty Modification Date=2021-11-19T00:46:05 test 0: 25_25-hmbc_25-hmbc.mnova addProperty Spectrum Quality=0 test 0: 25_25-hmbc_25-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.642445764415 test 0: 25_25-hmbc_25-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2028014 test 0: 25_25-hmbc_25-hmbc.mnova addProperty Spectral Width=6009.6153846154 test 0: 25_25-hmbc_25-hmbc.mnova addProperty Lowest Frequency=-203.407692297863 test 0: 25_25-hmbc_25-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 25_25-hmbc_25-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 25_25-hmbc_25-hmbc.mnova addProperty Acquired Size=512 test 0: 25_25-hmbc_25-hmbc.mnova addProperty Spectral Size=512 test 0: 25_25-hmbc_25-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 25_25-hmbc_25-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 25_25-hmbc_25-hmbc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 25_25-1H_25-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 25_25-1H_25-1H.mnova addProperty Title=Nov18-2021.70.fid test 0: 25_25-1H_25-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-171 CDCl3 Sc+ Bz-pyr. test 0: 25_25-1H_25-1H.mnova addProperty Comment=TM-VI-171 CDCl3 Sc+ Bz-pyr. test 0: 25_25-1H_25-1H.mnova addProperty Origin=Bruker test 0: 25_25-1H_25-1H.mnova addProperty Instrument=spect test 0: 25_25-1H_25-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 25_25-1H_25-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.5795 test 0: 25_25-1H_25-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 25_25-1H_25-1H.mnova addProperty Experiment=1D test 0: 25_25-1H_25-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 25_25-1H_25-1H.mnova addProperty Number of Scans=16 test 0: 25_25-1H_25-1H.mnova addProperty Receiver Gain=199.33 test 0: 25_25-1H_25-1H.mnova addProperty Relaxation Delay=1.0 test 0: 25_25-1H_25-1H.mnova addProperty Pulse Width=10.0 test 0: 25_25-1H_25-1H.mnova addProperty Acquisition Time=2.0447233 test 0: 25_25-1H_25-1H.mnova addProperty IFD.property.dataobject.timestamp=2021-11-18T13:27:00 test 0: 25_25-1H_25-1H.mnova addProperty Acquisition Date=2021-11-18T13:27:00 test 0: 25_25-1H_25-1H.mnova addProperty Modification Date=2021-11-18T13:27:15 test 0: 25_25-1H_25-1H.mnova addProperty Spectrum Quality=0 test 0: 25_25-1H_25-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2024012 test 0: 25_25-1H_25-1H.mnova addProperty Spectral Width=8012.8205128205 test 0: 25_25-1H_25-1H.mnova addProperty Lowest Frequency=-1615.13514434713 test 0: 25_25-1H_25-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 25_25-1H_25-1H.mnova addProperty Acquired Size=16384 test 0: 25_25-1H_25-1H.mnova addProperty Spectral Size=65536 test 0: 25_25-1H_25-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 25_25-1H_25-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 25_25-1H_25-1H.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 25/25-1H/25-1H.zip|70/ test 0: Phase 2.1 checking zip directory: 9 25/25-1H/25-1H.zip|70/pdata/ test 0: Phase 2.1 checking zip directory: 10 25/25-1H/25-1H.zip|70/pdata/1/ test 0: !rezip pattern found 25/25-1H/25-1H.zip|70/ [IFDRepresentation type=null ref=[IFDReference Archive::25/25-1H/25-1H.zip|70/ :as::25_25-1H_25-1H.zip..70.zip]] test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C76 H70 N8 O14 Sc2 test 0: !Jmol Setting space group name to 14 test 0: !Jmol Setting space group name to HM:P 21/n test 0: !Jmol Setting space group name to Hall:-P 2yn test 0: !Jmol AB2141 test 0: !Jmol 61 bonds read test 0: !Jmol CIF creating molecule for 368 atoms using GEOM_BOND records test 0: !Jmol reading 184 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 184 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 12 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C76 H70 N8 O14 Sc2 test 0: !Jmol Setting space group name to 14 test 0: !Jmol Setting space group name to HM:P 21/n test 0: !Jmol Setting space group name to Hall:-P 2yn test 0: !Jmol AB2141 test 0: !Jmol reading 416 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 416 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 3 ms test 0: Phase 2.1 checking zip directory: 595 28/ test 0: Phase 2.1 checking zip directory: 596 28/28-hmbc/ test 0: Phase 2.1 checking zip directory: 598 28/28-hsqc/ test 0: Phase 2.1 checking zip directory: 599 28/28-1H/ test 0: Phase 2.1 checking zip directory: 601 28/28-X-ray/ test 0: Phase 2.1 checking zip directory: 603 28/28-IR/ test 0: Phase 2.1 checking zip directory: 604 28/28-13C/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: OH2 An atom in this label has an invalid valence. test 0: !Jmol Warning: OH2 An atom in this label has an invalid valence. test 0: !Jmol Warning: (28) ChemDraw can't interpret this label. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 54 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 54 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: Phase 2.1 checking zip directory: 2 28/28-13C/28-13C.zip|21/ test 0: Phase 2.1 checking zip directory: 10 28/28-13C/28-13C.zip|21/pdata/ test 0: Phase 2.1 checking zip directory: 11 28/28-13C/28-13C.zip|21/pdata/1/ test 0: !rezip pattern found 28/28-13C/28-13C.zip|21/ [IFDRepresentation type=null ref=[IFDReference Archive::28/28-13C/28-13C.zip|21/ :as::28_28-13C_28-13C.zip..21.zip]] test 0: 28_28-13C_28-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 28_28-13C_28-13C.mnova addProperty Title=Mar02-2022.21.fid test 0: 28_28-13C_28-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-273, Y+Ph-pyr, acetone-d6, 13C test 0: 28_28-13C_28-13C.mnova addProperty Comment=TM-VI-273, Y+Ph-pyr, acetone-d6, 13C test 0: 28_28-13C_28-13C.mnova addProperty Origin=Bruker test 0: 28_28-13C_28-13C.mnova addProperty Instrument=spect test 0: 28_28-13C_28-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 28_28-13C_28-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.922 test 0: 28_28-13C_28-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 28_28-13C_28-13C.mnova addProperty Experiment=1D test 0: 28_28-13C_28-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 28_28-13C_28-13C.mnova addProperty Number of Scans=1200 test 0: 28_28-13C_28-13C.mnova addProperty Receiver Gain=199.33 test 0: 28_28-13C_28-13C.mnova addProperty Relaxation Delay=1.0 test 0: 28_28-13C_28-13C.mnova addProperty Pulse Width=9.05 test 0: 28_28-13C_28-13C.mnova addProperty Acquisition Time=0.5767168 test 0: 28_28-13C_28-13C.mnova addProperty IFD.property.dataobject.timestamp=2022-03-03T23:30:00 test 0: 28_28-13C_28-13C.mnova addProperty Acquisition Date=2022-03-03T23:30:00 test 0: 28_28-13C_28-13C.mnova addProperty Modification Date=2022-03-03T23:30:59 test 0: 28_28-13C_28-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.641439460712 test 0: 28_28-13C_28-13C.mnova addProperty Spectrum Quality=0 test 0: 28_28-13C_28-13C.mnova addProperty Spectral Width=28409.090909091 test 0: 28_28-13C_28-13C.mnova addProperty Lowest Frequency=-3045.98927156244 test 0: 28_28-13C_28-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 28_28-13C_28-13C.mnova addProperty Acquired Size=16384 test 0: 28_28-13C_28-13C.mnova addProperty Spectral Size=65536 test 0: 28_28-13C_28-13C.mnova addProperty Digital Resolution=0.433488325639206 test 0: 28_28-13C_28-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 28_28-13C_28-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 28_28-13C_28-13C.mnova addProperty mnovaVersion=14.1.1-24571 test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C38 H41 N6 O11 Y test 0: !Jmol Setting space group name to 61 test 0: !Jmol Setting space group name to HM:P b c a test 0: !Jmol Setting space group name to Hall:-P 2ac 2ab test 0: !Jmol AB2218 test 0: !Jmol 64 bonds read test 0: !Jmol CIF creating molecule for 776 atoms using GEOM_BOND records test 0: !Jmol reading 97 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 97 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 8 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C38 H41 N6 O11 Y test 0: !Jmol Setting space group name to 61 test 0: !Jmol Setting space group name to HM:P b c a test 0: !Jmol Setting space group name to Hall:-P 2ac 2ab test 0: !Jmol AB2218 test 0: !Jmol reading 842 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 842 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 10 ms test 0: 28_28-1H_28-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 28_28-1H_28-1H.mnova addProperty Title=Mar02-2022.20.fid test 0: 28_28-1H_28-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-273, Y+Ph-pyr, acetone-d6 test 0: 28_28-1H_28-1H.mnova addProperty Comment=TM-VI-273, Y+Ph-pyr, acetone-d6 test 0: 28_28-1H_28-1H.mnova addProperty Origin=Bruker test 0: 28_28-1H_28-1H.mnova addProperty Instrument=spect test 0: 28_28-1H_28-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 28_28-1H_28-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.6994 test 0: 28_28-1H_28-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 28_28-1H_28-1H.mnova addProperty Experiment=1D test 0: 28_28-1H_28-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 28_28-1H_28-1H.mnova addProperty Number of Scans=16 test 0: 28_28-1H_28-1H.mnova addProperty Receiver Gain=126.26 test 0: 28_28-1H_28-1H.mnova addProperty Relaxation Delay=1.0 test 0: 28_28-1H_28-1H.mnova addProperty Pulse Width=11.25 test 0: 28_28-1H_28-1H.mnova addProperty Acquisition Time=2.0447233 test 0: 28_28-1H_28-1H.mnova addProperty IFD.property.dataobject.timestamp=2022-03-02T17:34:00 test 0: 28_28-1H_28-1H.mnova addProperty Acquisition Date=2022-03-02T17:34:00 test 0: 28_28-1H_28-1H.mnova addProperty Modification Date=2022-03-02T17:34:37 test 0: 28_28-1H_28-1H.mnova addProperty Spectrum Quality=0 test 0: 28_28-1H_28-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2024012 test 0: 28_28-1H_28-1H.mnova addProperty Spectral Width=8012.8205128205 test 0: 28_28-1H_28-1H.mnova addProperty Lowest Frequency=-1612.21374204467 test 0: 28_28-1H_28-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 28_28-1H_28-1H.mnova addProperty Acquired Size=16384 test 0: 28_28-1H_28-1H.mnova addProperty Spectral Size=65536 test 0: 28_28-1H_28-1H.mnova addProperty Digital Resolution=0.122265938000801 test 0: 28_28-1H_28-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 28_28-1H_28-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 28_28-1H_28-1H.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 28/28-1H/28-1H.zip|20/ test 0: Phase 2.1 checking zip directory: 9 28/28-1H/28-1H.zip|20/pdata/ test 0: Phase 2.1 checking zip directory: 10 28/28-1H/28-1H.zip|20/pdata/1/ test 0: !rezip pattern found 28/28-1H/28-1H.zip|20/ [IFDRepresentation type=null ref=[IFDReference Archive::28/28-1H/28-1H.zip|20/ :as::28_28-1H_28-1H.zip..20.zip]] test 0: 28_28-hsqc_28-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 28_28-hsqc_28-hsqc.mnova addProperty Title=Feb21-2022.43.ser test 0: 28_28-hsqc_28-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-273, CD3OD, Y+Ph-pyr. hsqc test 0: 28_28-hsqc_28-hsqc.mnova addProperty Comment=TM-VI-273, CD3OD, Y+Ph-pyr. hsqc test 0: 28_28-hsqc_28-hsqc.mnova addProperty Origin=Bruker test 0: 28_28-hsqc_28-hsqc.mnova addProperty Instrument=spect test 0: 28_28-hsqc_28-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 28_28-hsqc_28-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.4388 test 0: 28_28-hsqc_28-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hsqcedetgpsisp2.3 test 0: 28_28-hsqc_28-hsqc.mnova addProperty Experiment=HSQC-EDITED test 0: 28_28-hsqc_28-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 28_28-hsqc_28-hsqc.mnova addProperty Number of Scans=8 test 0: 28_28-hsqc_28-hsqc.mnova addProperty Receiver Gain=207.33 test 0: 28_28-hsqc_28-hsqc.mnova addProperty Relaxation Delay=1.5 test 0: 28_28-hsqc_28-hsqc.mnova addProperty Pulse Width=11.25 test 0: 28_28-hsqc_28-hsqc.mnova addProperty Acquisition Time=0.079872 test 0: 28_28-hsqc_28-hsqc.mnova addProperty IFD.property.dataobject.timestamp=2022-02-22T21:13:00 test 0: 28_28-hsqc_28-hsqc.mnova addProperty Acquisition Date=2022-02-22T21:13:00 test 0: 28_28-hsqc_28-hsqc.mnova addProperty Modification Date=2022-02-22T22:01:02 test 0: 28_28-hsqc_28-hsqc.mnova addProperty Spectrum Quality=0 test 0: 28_28-hsqc_28-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.694248895112 test 0: 28_28-hsqc_28-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41280287 test 0: 28_28-hsqc_28-hsqc.mnova addProperty Spectral Width=6410.25641025643 test 0: 28_28-hsqc_28-hsqc.mnova addProperty Lowest Frequency=-402.258205145964 test 0: 28_28-hsqc_28-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 28_28-hsqc_28-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 28_28-hsqc_28-hsqc.mnova addProperty Acquired Size=512 test 0: 28_28-hsqc_28-hsqc.mnova addProperty Spectral Size=512 test 0: 28_28-hsqc_28-hsqc.mnova addProperty Digital Resolution=12.5200320512821 test 0: 28_28-hsqc_28-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 28_28-hsqc_28-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 28_28-hsqc_28-hsqc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 28_28-hmbc_28-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 28_28-hmbc_28-hmbc.mnova addProperty Title=Feb21-2022.42.ser test 0: 28_28-hmbc_28-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-273, CD3OD, Y+Ph-pyr. hmbc test 0: 28_28-hmbc_28-hmbc.mnova addProperty Comment=TM-VI-273, CD3OD, Y+Ph-pyr. hmbc test 0: 28_28-hmbc_28-hmbc.mnova addProperty Origin=Bruker test 0: 28_28-hmbc_28-hmbc.mnova addProperty Instrument=spect test 0: 28_28-hmbc_28-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 28_28-hmbc_28-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.0235 test 0: 28_28-hmbc_28-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 28_28-hmbc_28-hmbc.mnova addProperty Experiment=HMBC test 0: 28_28-hmbc_28-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 28_28-hmbc_28-hmbc.mnova addProperty Number of Scans=8 test 0: 28_28-hmbc_28-hmbc.mnova addProperty Receiver Gain=207.33 test 0: 28_28-hmbc_28-hmbc.mnova addProperty Relaxation Delay=1.0 test 0: 28_28-hmbc_28-hmbc.mnova addProperty Pulse Width=11.25 test 0: 28_28-hmbc_28-hmbc.mnova addProperty Acquisition Time=0.08519680000000006 test 0: 28_28-hmbc_28-hmbc.mnova addProperty IFD.property.dataobject.timestamp=2022-02-22T20:52:12 test 0: 28_28-hmbc_28-hmbc.mnova addProperty Acquisition Date=2022-02-22T20:52:12 test 0: 28_28-hmbc_28-hmbc.mnova addProperty Modification Date=2022-02-22T21:11:52 test 0: 28_28-hmbc_28-hmbc.mnova addProperty Spectrum Quality=0 test 0: 28_28-hmbc_28-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.6952553088 test 0: 28_28-hmbc_28-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41280287 test 0: 28_28-hmbc_28-hmbc.mnova addProperty Spectral Width=6009.61538461538 test 0: 28_28-hmbc_28-hmbc.mnova addProperty Lowest Frequency=-201.937692325443 test 0: 28_28-hmbc_28-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 28_28-hmbc_28-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 28_28-hmbc_28-hmbc.mnova addProperty Acquired Size=512 test 0: 28_28-hmbc_28-hmbc.mnova addProperty Spectral Size=512 test 0: 28_28-hmbc_28-hmbc.mnova addProperty Digital Resolution=11.7375300480769 test 0: 28_28-hmbc_28-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 28_28-hmbc_28-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 28_28-hmbc_28-hmbc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 625 33/ test 0: Phase 2.1 checking zip directory: 628 33/33-acetone-d6/ test 0: Phase 2.1 checking zip directory: 629 33/33-CDCl3/ test 0: Phase 2.1 checking zip directory: 631 33/33-x-ray/ test 0: Phase 2.1 checking zip directory: 632 33/33-IR/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 81 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 81 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C56 H60 N8 O16 Zr test 0: !Jmol Setting space group name to 15 test 0: !Jmol Setting space group name to HM:I 2/a test 0: !Jmol Setting space group name to Hall:-I 2ya test 0: !Jmol AB2121 test 0: !Jmol error reading uncertainty for 1.3900 on line C27 C28 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C27 C32 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C28 C29 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C29 C30 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C30 C31 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C31 C32 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C27' C28' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C27' C32' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C28' C29' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C29' C30' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C30' C31' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C31' C32' 1.3900 . ? test 0: !Jmol 105 bonds read test 0: !Jmol CIF creating molecule for 1376 atoms using GEOM_BOND records test 0: !Jmol reading 172 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 172 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 3 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C56 H60 N8 O16 Zr test 0: !Jmol Setting space group name to 15 test 0: !Jmol Setting space group name to HM:I 2/a test 0: !Jmol Setting space group name to Hall:-I 2ya test 0: !Jmol AB2121 test 0: !Jmol reading 1544 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 1544 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 18 ms test 0: Phase 2.1 checking zip directory: 636 33/33-CDCl3/33-in CDCl3 hmbc/ test 0: Phase 2.1 checking zip directory: 637 33/33-CDCl3/33-in CDCl3 13C/ test 0: Phase 2.1 checking zip directory: 639 33/33-CDCl3/33-in CDCl3 1H/ test 0: Phase 2.1 checking zip directory: 640 33/33-CDCl3/33-in CDCl3 hmqc/ test 0: Phase 2.1 checking zip directory: 641 33/33-CDCl3/33-in CDCl3 cosy/ test 0: Phase 2.1 checking zip directory: 2 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/ test 0: Phase 2.1 checking zip directory: 10 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/ test 0: Phase 2.1 checking zip directory: 11 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/1/ test 0: !rezip pattern found 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/ [IFDRepresentation type=null ref=[IFDReference Archive::33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/ :as::33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.zip..41.zip]] test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.mnova addProperty Title=Oct27-2021.41.ser test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-138solid cosy test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.mnova addProperty Comment=TM-VI-138solid cosy test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.mnova addProperty Origin=Bruker test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.mnova addProperty Instrument=spect test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.5948 test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=cosygpqf test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.mnova addProperty Experiment=COSY test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.mnova addProperty Number of Scans=4 test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.mnova addProperty Receiver Gain=199.76 test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.mnova addProperty Relaxation Delay=1.0 test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.mnova addProperty Pulse Width=11.0 test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.mnova addProperty Acquisition Time=0.10649599999999994 test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.mnova addProperty IFD.property.dataobject.timestamp=2021-10-27T13:28:53 test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.mnova addProperty Acquisition Date=2021-10-27T13:28:53 test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.mnova addProperty Modification Date=2021-10-27T13:38:27 test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.mnova addProperty Spectrum Quality=0 test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.3220016 test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.3220016 test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.mnova addProperty Spectral Width=4807.69230769229 test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.mnova addProperty Lowest Frequency=-402.2461538179 test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.mnova addProperty Acquired Size=512 test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.mnova addProperty Spectral Size=512 test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 33_33-CDCl3_33-in_CDCl3_hmqc_33-in_CDCl3_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 33_33-CDCl3_33-in_CDCl3_hmqc_33-in_CDCl3_hmqc.mnova addProperty Title=Oct27-2021.42.ser test 0: 33_33-CDCl3_33-in_CDCl3_hmqc_33-in_CDCl3_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-138solid hmqc test 0: 33_33-CDCl3_33-in_CDCl3_hmqc_33-in_CDCl3_hmqc.mnova addProperty Comment=TM-VI-138solid hmqc test 0: 33_33-CDCl3_33-in_CDCl3_hmqc_33-in_CDCl3_hmqc.mnova addProperty Origin=Bruker test 0: 33_33-CDCl3_33-in_CDCl3_hmqc_33-in_CDCl3_hmqc.mnova addProperty Instrument=spect test 0: 33_33-CDCl3_33-in_CDCl3_hmqc_33-in_CDCl3_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 33_33-CDCl3_33-in_CDCl3_hmqc_33-in_CDCl3_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.5787 test 0: 33_33-CDCl3_33-in_CDCl3_hmqc_33-in_CDCl3_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmqcgpqf test 0: 33_33-CDCl3_33-in_CDCl3_hmqc_33-in_CDCl3_hmqc.mnova addProperty Experiment=HMQC test 0: 33_33-CDCl3_33-in_CDCl3_hmqc_33-in_CDCl3_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 33_33-CDCl3_33-in_CDCl3_hmqc_33-in_CDCl3_hmqc.mnova addProperty Number of Scans=4 test 0: 33_33-CDCl3_33-in_CDCl3_hmqc_33-in_CDCl3_hmqc.mnova addProperty Receiver Gain=199.76 test 0: 33_33-CDCl3_33-in_CDCl3_hmqc_33-in_CDCl3_hmqc.mnova addProperty Relaxation Delay=1.3 test 0: 33_33-CDCl3_33-in_CDCl3_hmqc_33-in_CDCl3_hmqc.mnova addProperty Pulse Width=11.0 test 0: 33_33-CDCl3_33-in_CDCl3_hmqc_33-in_CDCl3_hmqc.mnova addProperty Acquisition Time=0.10649599999999994 test 0: 33_33-CDCl3_33-in_CDCl3_hmqc_33-in_CDCl3_hmqc.mnova addProperty IFD.property.dataobject.timestamp=2021-10-27T13:49:37 test 0: 33_33-CDCl3_33-in_CDCl3_hmqc_33-in_CDCl3_hmqc.mnova addProperty Acquisition Date=2021-10-27T13:49:37 test 0: 33_33-CDCl3_33-in_CDCl3_hmqc_33-in_CDCl3_hmqc.mnova addProperty Modification Date=2021-10-27T14:01:43 test 0: 33_33-CDCl3_33-in_CDCl3_hmqc_33-in_CDCl3_hmqc.mnova addProperty Spectrum Quality=0 test 0: 33_33-CDCl3_33-in_CDCl3_hmqc_33-in_CDCl3_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.66910027425 test 0: 33_33-CDCl3_33-in_CDCl3_hmqc_33-in_CDCl3_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.3220016 test 0: 33_33-CDCl3_33-in_CDCl3_hmqc_33-in_CDCl3_hmqc.mnova addProperty Spectral Width=4807.69230769229 test 0: 33_33-CDCl3_33-in_CDCl3_hmqc_33-in_CDCl3_hmqc.mnova addProperty Lowest Frequency=-402.2461538179 test 0: 33_33-CDCl3_33-in_CDCl3_hmqc_33-in_CDCl3_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 33_33-CDCl3_33-in_CDCl3_hmqc_33-in_CDCl3_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 33_33-CDCl3_33-in_CDCl3_hmqc_33-in_CDCl3_hmqc.mnova addProperty Acquired Size=512 test 0: 33_33-CDCl3_33-in_CDCl3_hmqc_33-in_CDCl3_hmqc.mnova addProperty Spectral Size=512 test 0: 33_33-CDCl3_33-in_CDCl3_hmqc_33-in_CDCl3_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 33_33-CDCl3_33-in_CDCl3_hmqc_33-in_CDCl3_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 33_33-CDCl3_33-in_CDCl3_hmqc_33-in_CDCl3_hmqc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/ test 0: Phase 2.1 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/ test 0: Phase 2.1 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/1/ test 0: !rezip pattern found 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/ [IFDRepresentation type=null ref=[IFDReference Archive::33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/ :as::33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.zip..40.zip]] test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.mnova addProperty Title=Oct27-2021.40.fid test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-138solid test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.mnova addProperty Comment=TM-VI-138solid test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.mnova addProperty Origin=Bruker test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.mnova addProperty Instrument=spect test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.3883 test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.mnova addProperty Experiment=1D test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.mnova addProperty Number of Scans=16 test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.mnova addProperty Receiver Gain=199.76 test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.mnova addProperty Relaxation Delay=1.0 test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.mnova addProperty Pulse Width=11.0 test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.mnova addProperty Acquisition Time=2.0447233 test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.mnova addProperty IFD.property.dataobject.timestamp=2021-10-27T12:36:00 test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.mnova addProperty Acquisition Date=2021-10-27T12:36:00 test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.mnova addProperty Modification Date=2021-10-27T12:36:23 test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.mnova addProperty Spectrum Quality=0 test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.32240192 test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.mnova addProperty Spectral Width=8012.82051282051 test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.mnova addProperty Lowest Frequency=-1614.17793006658 test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.mnova addProperty Acquired Size=16384 test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.mnova addProperty Spectral Size=65536 test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/ test 0: Phase 2.1 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/ test 0: Phase 2.1 checking zip directory: 10 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/1/ test 0: !rezip pattern found 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/ [IFDRepresentation type=null ref=[IFDReference Archive::33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/ :as::33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.zip..43.zip]] test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.mnova addProperty Title=Oct27-2021.43.fid test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-138solid 13C test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.mnova addProperty Comment=TM-VI-138solid 13C test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.mnova addProperty Origin=Bruker test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.mnova addProperty Instrument=spect test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.3458 test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.mnova addProperty Experiment=1D test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.mnova addProperty Number of Scans=1200 test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.mnova addProperty Receiver Gain=199.76 test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.mnova addProperty Relaxation Delay=1.0 test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.mnova addProperty Pulse Width=9.8 test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.mnova addProperty Acquisition Time=0.5767168 test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.mnova addProperty IFD.property.dataobject.timestamp=2021-10-27T21:02:00 test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.mnova addProperty Acquisition Date=2021-10-27T21:02:00 test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.mnova addProperty Modification Date=2021-10-27T21:02:54 test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.671616787854 test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.mnova addProperty Spectrum Quality=0 test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.mnova addProperty Spectral Width=28409.090909091 test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.mnova addProperty Lowest Frequency=-3118.9948283371 test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.mnova addProperty Acquired Size=16384 test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.mnova addProperty Spectral Size=65536 test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/ test 0: Phase 2.1 checking zip directory: 10 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/ test 0: Phase 2.1 checking zip directory: 11 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/1/ test 0: !rezip pattern found 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/ [IFDRepresentation type=null ref=[IFDReference Archive::33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/ :as::33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.zip..44.zip]] test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.mnova addProperty Title=Oct27-2021.44.ser test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-138solid hmbc test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.mnova addProperty Comment=TM-VI-138solid hmbc test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.mnova addProperty Origin=Bruker test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.mnova addProperty Instrument=spect test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.99 test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.mnova addProperty Experiment=HMBC test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.mnova addProperty Number of Scans=8 test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.mnova addProperty Receiver Gain=199.76 test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.mnova addProperty Relaxation Delay=1.0 test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.mnova addProperty Pulse Width=11.0 test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.mnova addProperty Acquisition Time=0.08519680000000006 test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.mnova addProperty IFD.property.dataobject.timestamp=2021-10-27T21:04:00 test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.mnova addProperty Acquisition Date=2021-10-27T21:04:00 test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.mnova addProperty Modification Date=2021-10-27T21:23:40 test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.mnova addProperty Spectrum Quality=0 test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.672623393296 test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.32280224 test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.mnova addProperty Spectral Width=6009.61538461538 test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.mnova addProperty Lowest Frequency=-202.56769231362 test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.mnova addProperty Acquired Size=512 test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.mnova addProperty Spectral Size=512 test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 662 33/33-acetone-d6/33-in acetone-d6 13C/ test 0: Phase 2.1 checking zip directory: 663 33/33-acetone-d6/33-in acetone-d6 hmbc/ test 0: Phase 2.1 checking zip directory: 664 33/33-acetone-d6/33-in acetone-d6 1H/ test 0: Phase 2.1 checking zip directory: 666 33/33-acetone-d6/33-in acetone-d6 hmqc/ test 0: 33_33-acetone-d6_33-in_acetone-d6_hmqc_33-in_acetone-d6_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 33_33-acetone-d6_33-in_acetone-d6_hmqc_33-in_acetone-d6_hmqc.mnova addProperty Title=Oct20-2021.113.ser test 0: 33_33-acetone-d6_33-in_acetone-d6_hmqc_33-in_acetone-d6_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-121 Zr+PMB-prraz. hsqc test 0: 33_33-acetone-d6_33-in_acetone-d6_hmqc_33-in_acetone-d6_hmqc.mnova addProperty Comment=TM-VI-121 Zr+PMB-prraz. hsqc test 0: 33_33-acetone-d6_33-in_acetone-d6_hmqc_33-in_acetone-d6_hmqc.mnova addProperty Origin=Bruker test 0: 33_33-acetone-d6_33-in_acetone-d6_hmqc_33-in_acetone-d6_hmqc.mnova addProperty Instrument=spect test 0: 33_33-acetone-d6_33-in_acetone-d6_hmqc_33-in_acetone-d6_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 33_33-acetone-d6_33-in_acetone-d6_hmqc_33-in_acetone-d6_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=293.109 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmqc_33-in_acetone-d6_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hsqcedetgpsisp2.3 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmqc_33-in_acetone-d6_hmqc.mnova addProperty Experiment=HSQC-EDITED test 0: 33_33-acetone-d6_33-in_acetone-d6_hmqc_33-in_acetone-d6_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmqc_33-in_acetone-d6_hmqc.mnova addProperty Number of Scans=8 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmqc_33-in_acetone-d6_hmqc.mnova addProperty Receiver Gain=207.33 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmqc_33-in_acetone-d6_hmqc.mnova addProperty Relaxation Delay=1.5 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmqc_33-in_acetone-d6_hmqc.mnova addProperty Pulse Width=11.25 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmqc_33-in_acetone-d6_hmqc.mnova addProperty Acquisition Time=0.079872 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmqc_33-in_acetone-d6_hmqc.mnova addProperty IFD.property.dataobject.timestamp=2021-10-21T01:04:00 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmqc_33-in_acetone-d6_hmqc.mnova addProperty Acquisition Date=2021-10-21T01:04:00 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmqc_33-in_acetone-d6_hmqc.mnova addProperty Modification Date=2021-10-21T01:51:09 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmqc_33-in_acetone-d6_hmqc.mnova addProperty Spectrum Quality=0 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmqc_33-in_acetone-d6_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.694248895112 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmqc_33-in_acetone-d6_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41280287 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmqc_33-in_acetone-d6_hmqc.mnova addProperty Spectral Width=6410.25641025643 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmqc_33-in_acetone-d6_hmqc.mnova addProperty Lowest Frequency=-402.258205145964 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmqc_33-in_acetone-d6_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 33_33-acetone-d6_33-in_acetone-d6_hmqc_33-in_acetone-d6_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 33_33-acetone-d6_33-in_acetone-d6_hmqc_33-in_acetone-d6_hmqc.mnova addProperty Acquired Size=512 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmqc_33-in_acetone-d6_hmqc.mnova addProperty Spectral Size=512 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmqc_33-in_acetone-d6_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmqc_33-in_acetone-d6_hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 33_33-acetone-d6_33-in_acetone-d6_hmqc_33-in_acetone-d6_hmqc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/ test 0: Phase 2.1 checking zip directory: 8 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/ test 0: Phase 2.1 checking zip directory: 9 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/1/ test 0: !rezip pattern found 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/ [IFDRepresentation type=null ref=[IFDReference Archive::33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/ :as::33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.zip..110.zip]] test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.mnova addProperty Title=Oct20-2021.110.fid test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-121 Zr+PMB-prraz. test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.mnova addProperty Comment=TM-VI-121 Zr+PMB-prraz. test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.mnova addProperty Origin=Bruker test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.mnova addProperty Instrument=spect test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.222 test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.mnova addProperty Experiment=1D test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.mnova addProperty Number of Scans=16 test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.mnova addProperty Receiver Gain=126.47 test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.mnova addProperty Relaxation Delay=1.0 test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.mnova addProperty Pulse Width=11.25 test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.mnova addProperty Acquisition Time=2.0447233 test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.mnova addProperty IFD.property.dataobject.timestamp=2021-10-20T15:23:00 test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.mnova addProperty Acquisition Date=2021-10-20T15:23:00 test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.mnova addProperty Modification Date=2021-10-20T15:23:59 test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.mnova addProperty Spectrum Quality=0 test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41240246 test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.mnova addProperty Spectral Width=8012.82051282051 test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.mnova addProperty Lowest Frequency=-1612.87938112076 test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.mnova addProperty Acquired Size=16384 test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.mnova addProperty Spectral Size=65536 test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.mnova addProperty Title=Oct20-2021.112.ser test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-121 Zr+PMB-prraz. hmbc test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.mnova addProperty Comment=TM-VI-121 Zr+PMB-prraz. hmbc test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.mnova addProperty Origin=Bruker test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.mnova addProperty Instrument=spect test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=293.7805 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.mnova addProperty Experiment=HMBC test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.mnova addProperty Number of Scans=8 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.mnova addProperty Receiver Gain=207.33 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.mnova addProperty Relaxation Delay=1.0 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.mnova addProperty Pulse Width=11.25 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.mnova addProperty Acquisition Time=0.08519680000000006 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.mnova addProperty IFD.property.dataobject.timestamp=2021-10-21T00:42:19 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.mnova addProperty Acquisition Date=2021-10-21T00:42:19 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.mnova addProperty Modification Date=2021-10-21T01:01:59 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.mnova addProperty Spectrum Quality=0 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.6952553088 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41280287 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.mnova addProperty Spectral Width=6009.61538461538 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.mnova addProperty Lowest Frequency=-201.937692325443 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.mnova addProperty Acquired Size=512 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.mnova addProperty Spectral Size=512 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/ test 0: Phase 2.1 checking zip directory: 9 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/ test 0: Phase 2.1 checking zip directory: 10 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/1/ test 0: !rezip pattern found 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/ [IFDRepresentation type=null ref=[IFDReference Archive::33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/ :as::33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.zip..112.zip]] test 0: Phase 2.1 checking zip directory: 2 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/ test 0: Phase 2.1 checking zip directory: 10 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/ test 0: Phase 2.1 checking zip directory: 11 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/1/ test 0: !rezip pattern found 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/ [IFDRepresentation type=null ref=[IFDReference Archive::33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/ :as::33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.zip..111.zip]] test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.mnova addProperty Title=Oct20-2021.111.fid test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-121 Zr+PMB-prraz. 13C test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.mnova addProperty Comment=TM-VI-121 Zr+PMB-prraz. 13C test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.mnova addProperty Origin=Bruker test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.mnova addProperty Instrument=spect test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.0333 test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.mnova addProperty Experiment=1D test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.mnova addProperty Number of Scans=1200 test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.mnova addProperty Receiver Gain=207.33 test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.mnova addProperty Relaxation Delay=1.0 test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.mnova addProperty Pulse Width=9.6 test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.mnova addProperty Acquisition Time=0.622592 test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.mnova addProperty IFD.property.dataobject.timestamp=2021-10-21T00:41:00 test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.mnova addProperty Acquisition Date=2021-10-21T00:41:00 test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.mnova addProperty Modification Date=2021-10-21T00:41:41 test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.694248477066 test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.mnova addProperty Spectrum Quality=0 test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.mnova addProperty Spectral Width=26315.7894736842 test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.mnova addProperty Lowest Frequency=-1996.08088907496 test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.mnova addProperty Acquired Size=16384 test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.mnova addProperty Spectral Size=65536 test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 683 34/ test 0: Phase 2.1 checking zip directory: 685 34/34-IR/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 69 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 69 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 0 ms test 0: Phase 2.1 checking zip directory: 689 34/34-X-Ray/ test 0: Phase 2.1 checking zip directory: 690 34/34-NMR-acetone-d6/ test 0: Phase 2.1 checking zip directory: 691 34/34-NMR-CDCl3/ test 0: Phase 2.1 checking zip directory: 692 34/34-NMR-CDCl3/34-in CDCl3 hmbc/ test 0: Phase 2.1 checking zip directory: 693 34/34-NMR-CDCl3/34-in CDCl3 13C/ test 0: Phase 2.1 checking zip directory: 695 34/34-NMR-CDCl3/34-in CDCl3 hsqc/ test 0: Phase 2.1 checking zip directory: 696 34/34-NMR-CDCl3/34-in CDCl3 1H/ test 0: Phase 2.1 checking zip directory: 697 34/34-NMR-CDCl3/34-in CDCl3 cosy/ test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.mnova addProperty Title=Oct27-2021.31.ser test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-137solid cosy test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.mnova addProperty Comment=TM-VI-137solid cosy test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.mnova addProperty Origin=Bruker test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.mnova addProperty Instrument=spect test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.4665 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=cosygpqf test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.mnova addProperty Experiment=COSY test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.mnova addProperty Number of Scans=4 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.mnova addProperty Receiver Gain=199.76 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.mnova addProperty Relaxation Delay=1.0 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.mnova addProperty Pulse Width=11.0 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.mnova addProperty Acquisition Time=0.10649599999999994 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.mnova addProperty IFD.property.dataobject.timestamp=2021-10-27T12:52:36 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.mnova addProperty Acquisition Date=2021-10-27T12:52:36 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.mnova addProperty Modification Date=2021-10-27T13:02:11 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.mnova addProperty Spectrum Quality=0 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.3220016 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.3220016 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.mnova addProperty Spectral Width=4807.69230769229 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.mnova addProperty Lowest Frequency=-402.2461538179 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.mnova addProperty Acquired Size=512 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.mnova addProperty Spectral Size=512 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/ test 0: Phase 2.1 checking zip directory: 10 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/pdata/ test 0: Phase 2.1 checking zip directory: 11 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/pdata/1/ test 0: !rezip pattern found 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/ [IFDRepresentation type=null ref=[IFDReference Archive::34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/ :as::34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.zip..31.zip]] test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.mnova addProperty Title=Oct27-2021.30.fid test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-137solid test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.mnova addProperty Comment=TM-VI-137solid test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.mnova addProperty Origin=Bruker test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.mnova addProperty Instrument=spect test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.3646 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.mnova addProperty Experiment=1D test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.mnova addProperty Number of Scans=16 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.mnova addProperty Receiver Gain=199.76 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.mnova addProperty Relaxation Delay=1.0 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.mnova addProperty Pulse Width=11.0 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.mnova addProperty Acquisition Time=2.0447233 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.mnova addProperty IFD.property.dataobject.timestamp=2021-10-27T12:32:00 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.mnova addProperty Acquisition Date=2021-10-27T12:32:00 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.mnova addProperty Modification Date=2021-10-27T12:32:40 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.mnova addProperty Spectrum Quality=0 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.32240192 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.mnova addProperty Spectral Width=8012.82051282051 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.mnova addProperty Lowest Frequency=-1614.21796177595 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.mnova addProperty Acquired Size=16384 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.mnova addProperty Spectral Size=65536 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/ test 0: Phase 2.1 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/pdata/ test 0: Phase 2.1 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/pdata/1/ test 0: !rezip pattern found 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/ [IFDRepresentation type=null ref=[IFDReference Archive::34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/ :as::34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.zip..30.zip]] test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hsqc_34-in_CDCl3_hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hsqc_34-in_CDCl3_hsqc.mnova addProperty Title=Oct27-2021.32.ser test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hsqc_34-in_CDCl3_hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-137solid hmqc test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hsqc_34-in_CDCl3_hsqc.mnova addProperty Comment=TM-VI-137solid hmqc test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hsqc_34-in_CDCl3_hsqc.mnova addProperty Origin=Bruker test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hsqc_34-in_CDCl3_hsqc.mnova addProperty Instrument=spect test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hsqc_34-in_CDCl3_hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hsqc_34-in_CDCl3_hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.3471 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hsqc_34-in_CDCl3_hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmqcgpqf test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hsqc_34-in_CDCl3_hsqc.mnova addProperty Experiment=HMQC test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hsqc_34-in_CDCl3_hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hsqc_34-in_CDCl3_hsqc.mnova addProperty Number of Scans=4 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hsqc_34-in_CDCl3_hsqc.mnova addProperty Receiver Gain=199.76 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hsqc_34-in_CDCl3_hsqc.mnova addProperty Relaxation Delay=1.3 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hsqc_34-in_CDCl3_hsqc.mnova addProperty Pulse Width=11.0 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hsqc_34-in_CDCl3_hsqc.mnova addProperty Acquisition Time=0.10649599999999994 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hsqc_34-in_CDCl3_hsqc.mnova addProperty IFD.property.dataobject.timestamp=2021-10-27T13:03:28 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hsqc_34-in_CDCl3_hsqc.mnova addProperty Acquisition Date=2021-10-27T13:03:28 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hsqc_34-in_CDCl3_hsqc.mnova addProperty Modification Date=2021-10-27T13:15:34 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hsqc_34-in_CDCl3_hsqc.mnova addProperty Spectrum Quality=0 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hsqc_34-in_CDCl3_hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.66910027425 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hsqc_34-in_CDCl3_hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.3220016 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hsqc_34-in_CDCl3_hsqc.mnova addProperty Spectral Width=4807.69230769229 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hsqc_34-in_CDCl3_hsqc.mnova addProperty Lowest Frequency=-402.2461538179 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hsqc_34-in_CDCl3_hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hsqc_34-in_CDCl3_hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hsqc_34-in_CDCl3_hsqc.mnova addProperty Acquired Size=512 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hsqc_34-in_CDCl3_hsqc.mnova addProperty Spectral Size=512 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hsqc_34-in_CDCl3_hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hsqc_34-in_CDCl3_hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hsqc_34-in_CDCl3_hsqc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.mnova addProperty Title=Oct27-2021.33.fid test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-137solid 13C test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.mnova addProperty Comment=TM-VI-137solid 13C test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.mnova addProperty Origin=Bruker test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.mnova addProperty Instrument=spect test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.1612 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.mnova addProperty Experiment=1D test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.mnova addProperty Number of Scans=352 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.mnova addProperty Receiver Gain=199.76 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.mnova addProperty Relaxation Delay=1.0 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.mnova addProperty Pulse Width=9.8 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.mnova addProperty Acquisition Time=0.5767168 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.mnova addProperty IFD.property.dataobject.timestamp=2021-10-27T13:25:00 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.mnova addProperty Acquisition Date=2021-10-27T13:25:00 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.mnova addProperty Modification Date=2021-10-27T13:25:33 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.671616787854 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.mnova addProperty Spectrum Quality=0 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.mnova addProperty Spectral Width=28409.090909091 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.mnova addProperty Lowest Frequency=-3119.76985472487 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.mnova addProperty Acquired Size=16384 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.mnova addProperty Spectral Size=65536 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/ test 0: Phase 2.1 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/pdata/ test 0: Phase 2.1 checking zip directory: 10 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/pdata/1/ test 0: !rezip pattern found 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/ [IFDRepresentation type=null ref=[IFDReference Archive::34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/ :as::34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.zip..33.zip]] test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.mnova addProperty Title=Oct27-2021.34.ser test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-137solid hmbc test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.mnova addProperty Comment=TM-VI-137solid hmbc test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.mnova addProperty Origin=Bruker test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.mnova addProperty Instrument=spect test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.4578 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.mnova addProperty Experiment=HMBC test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.mnova addProperty Number of Scans=8 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.mnova addProperty Receiver Gain=199.76 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.mnova addProperty Relaxation Delay=1.0 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.mnova addProperty Pulse Width=11.0 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.mnova addProperty Acquisition Time=0.08519680000000006 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.mnova addProperty IFD.property.dataobject.timestamp=2021-10-27T20:07:43 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.mnova addProperty Acquisition Date=2021-10-27T20:07:43 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.mnova addProperty Modification Date=2021-10-27T20:27:23 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.mnova addProperty Spectrum Quality=0 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.672623393296 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.32280224 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.mnova addProperty Spectral Width=6009.61538461538 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.mnova addProperty Lowest Frequency=-202.56769231362 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.mnova addProperty Acquired Size=512 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.mnova addProperty Spectral Size=512 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/ test 0: Phase 2.1 checking zip directory: 10 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/ test 0: Phase 2.1 checking zip directory: 11 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/1/ test 0: !rezip pattern found 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/ [IFDRepresentation type=null ref=[IFDReference Archive::34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/ :as::34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.zip..34.zip]] test 0: Phase 2.1 checking zip directory: 719 34/34-NMR-acetone-d6/34-in acetone-d6 13C/ test 0: Phase 2.1 checking zip directory: 720 34/34-NMR-acetone-d6/34-in acetone-d6 1H/ test 0: Phase 2.1 checking zip directory: 721 34/34-NMR-acetone-d6/34-in acetone-d6 hmbc/ test 0: Phase 2.1 checking zip directory: 722 34/34-NMR-acetone-d6/34-in acetone-d6 hsqc/ test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hsqc_34-in_acetone-d6_hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hsqc_34-in_acetone-d6_hsqc.mnova addProperty Title=Oct20-2021.123.ser test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hsqc_34-in_acetone-d6_hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-124 Zr+ph-prraz. hmqc test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hsqc_34-in_acetone-d6_hsqc.mnova addProperty Comment=TM-VI-124 Zr+ph-prraz. hmqc test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hsqc_34-in_acetone-d6_hsqc.mnova addProperty Origin=Bruker test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hsqc_34-in_acetone-d6_hsqc.mnova addProperty Instrument=spect test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hsqc_34-in_acetone-d6_hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hsqc_34-in_acetone-d6_hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=292.5537 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hsqc_34-in_acetone-d6_hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmqcgpqf test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hsqc_34-in_acetone-d6_hsqc.mnova addProperty Experiment=HMQC test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hsqc_34-in_acetone-d6_hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hsqc_34-in_acetone-d6_hsqc.mnova addProperty Number of Scans=4 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hsqc_34-in_acetone-d6_hsqc.mnova addProperty Receiver Gain=207.33 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hsqc_34-in_acetone-d6_hsqc.mnova addProperty Relaxation Delay=1.0 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hsqc_34-in_acetone-d6_hsqc.mnova addProperty Pulse Width=11.25 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hsqc_34-in_acetone-d6_hsqc.mnova addProperty Acquisition Time=0.10649599999999994 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hsqc_34-in_acetone-d6_hsqc.mnova addProperty IFD.property.dataobject.timestamp=2021-10-21T02:47:17 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hsqc_34-in_acetone-d6_hsqc.mnova addProperty Acquisition Date=2021-10-21T02:47:17 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hsqc_34-in_acetone-d6_hsqc.mnova addProperty Modification Date=2021-10-21T02:56:52 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hsqc_34-in_acetone-d6_hsqc.mnova addProperty Spectrum Quality=0 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hsqc_34-in_acetone-d6_hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.692234813598 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hsqc_34-in_acetone-d6_hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41200205 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hsqc_34-in_acetone-d6_hsqc.mnova addProperty Spectral Width=4807.69230769231 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hsqc_34-in_acetone-d6_hsqc.mnova addProperty Lowest Frequency=-401.796153858833 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hsqc_34-in_acetone-d6_hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hsqc_34-in_acetone-d6_hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hsqc_34-in_acetone-d6_hsqc.mnova addProperty Acquired Size=512 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hsqc_34-in_acetone-d6_hsqc.mnova addProperty Spectral Size=512 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hsqc_34-in_acetone-d6_hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hsqc_34-in_acetone-d6_hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hsqc_34-in_acetone-d6_hsqc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hmbc_34-in_acetone-d6_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hmbc_34-in_acetone-d6_hmbc.mnova addProperty Title=Oct20-2021.122.ser test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hmbc_34-in_acetone-d6_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-124 Zr+ph-prraz. hmbc test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hmbc_34-in_acetone-d6_hmbc.mnova addProperty Comment=TM-VI-124 Zr+ph-prraz. hmbc test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hmbc_34-in_acetone-d6_hmbc.mnova addProperty Origin=Bruker test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hmbc_34-in_acetone-d6_hmbc.mnova addProperty Instrument=spect test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hmbc_34-in_acetone-d6_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hmbc_34-in_acetone-d6_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=293.2254 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hmbc_34-in_acetone-d6_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hmbc_34-in_acetone-d6_hmbc.mnova addProperty Experiment=HMBC test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hmbc_34-in_acetone-d6_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hmbc_34-in_acetone-d6_hmbc.mnova addProperty Number of Scans=8 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hmbc_34-in_acetone-d6_hmbc.mnova addProperty Receiver Gain=207.33 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hmbc_34-in_acetone-d6_hmbc.mnova addProperty Relaxation Delay=1.0 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hmbc_34-in_acetone-d6_hmbc.mnova addProperty Pulse Width=11.25 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hmbc_34-in_acetone-d6_hmbc.mnova addProperty Acquisition Time=0.08519680000000006 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hmbc_34-in_acetone-d6_hmbc.mnova addProperty IFD.property.dataobject.timestamp=2021-10-21T02:27:05 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hmbc_34-in_acetone-d6_hmbc.mnova addProperty Acquisition Date=2021-10-21T02:27:05 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hmbc_34-in_acetone-d6_hmbc.mnova addProperty Modification Date=2021-10-21T02:46:46 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hmbc_34-in_acetone-d6_hmbc.mnova addProperty Spectrum Quality=0 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hmbc_34-in_acetone-d6_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.6952553088 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hmbc_34-in_acetone-d6_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41280287 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hmbc_34-in_acetone-d6_hmbc.mnova addProperty Spectral Width=6009.61538461538 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hmbc_34-in_acetone-d6_hmbc.mnova addProperty Lowest Frequency=-201.937692325443 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hmbc_34-in_acetone-d6_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hmbc_34-in_acetone-d6_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hmbc_34-in_acetone-d6_hmbc.mnova addProperty Acquired Size=512 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hmbc_34-in_acetone-d6_hmbc.mnova addProperty Spectral Size=512 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hmbc_34-in_acetone-d6_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hmbc_34-in_acetone-d6_hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_hmbc_34-in_acetone-d6_hmbc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/ test 0: Phase 2.1 checking zip directory: 8 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/ test 0: Phase 2.1 checking zip directory: 9 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/1/ test 0: !rezip pattern found 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/ [IFDRepresentation type=null ref=[IFDReference Archive::34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/ :as::34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.zip..120.zip]] test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.mnova addProperty Title=Oct20-2021.120.fid test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-124 Zr+ph-prraz. test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.mnova addProperty Comment=TM-VI-124 Zr+ph-prraz. test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.mnova addProperty Origin=Bruker test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.mnova addProperty Instrument=spect test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.2294 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.mnova addProperty Experiment=1D test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.mnova addProperty Number of Scans=16 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.mnova addProperty Receiver Gain=207.33 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.mnova addProperty Relaxation Delay=1.0 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.mnova addProperty Pulse Width=11.25 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.mnova addProperty Acquisition Time=2.0447233 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.mnova addProperty IFD.property.dataobject.timestamp=2021-10-20T15:26:00 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.mnova addProperty Acquisition Date=2021-10-20T15:26:00 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.mnova addProperty Modification Date=2021-10-20T15:26:33 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.mnova addProperty Spectrum Quality=0 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41240246 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.mnova addProperty Spectral Width=8012.82051282051 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.mnova addProperty Lowest Frequency=-1612.87938112076 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.mnova addProperty Acquired Size=16384 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.mnova addProperty Spectral Size=65536 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.mnova addProperty Title=Aug01-2022.11.fid test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-137, acetone-d6 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.mnova addProperty Comment=TM-VI-137, acetone-d6 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.mnova addProperty Origin=Bruker test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.mnova addProperty Instrument=spect test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.0428 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.mnova addProperty Experiment=1D test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.mnova addProperty Number of Scans=1200 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.mnova addProperty Receiver Gain=207.33 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.mnova addProperty Relaxation Delay=1.0 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.mnova addProperty Pulse Width=9.6 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.mnova addProperty Acquisition Time=0.622592 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.mnova addProperty IFD.property.dataobject.timestamp=2022-08-01T21:13:00 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.mnova addProperty Acquisition Date=2022-08-01T21:13:00 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.mnova addProperty Modification Date=2022-08-01T21:13:53 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.694248477066 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.mnova addProperty Spectrum Quality=0 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.mnova addProperty Spectral Width=26315.7894736842 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.mnova addProperty Lowest Frequency=-1994.88279504358 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.mnova addProperty Acquired Size=16384 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.mnova addProperty Spectral Size=65536 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.mnova addProperty Digital Resolution=0.401547080592105 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/ test 0: Phase 2.1 checking zip directory: 10 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/ test 0: Phase 2.1 checking zip directory: 11 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/1/ test 0: !rezip pattern found 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/ [IFDRepresentation type=null ref=[IFDReference Archive::34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/ :as::34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.zip..11.zip]] test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C48.75 H44.75 Cl2.25 N8 O12 Zr test 0: !Jmol Setting space group name to 15 test 0: !Jmol Setting space group name to HM:C 2/c test 0: !Jmol Setting space group name to Hall:-C 2yc test 0: !Jmol AB2124 test 0: !Jmol 50 bonds read test 0: !Jmol CIF creating molecule for 534 atoms using GEOM_BOND records test 0: !Jmol reading 133 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12ABCDEFGHIJKLMN test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 133 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 11 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C48.75 H44.75 Cl2.25 N8 O12 Zr test 0: !Jmol Setting space group name to 15 test 0: !Jmol Setting space group name to HM:C 2/c test 0: !Jmol Setting space group name to Hall:-C 2yc test 0: !Jmol AB2124 test 0: !Jmol reading 582 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12ABCDEFGHIJKLMN test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 582 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 12 ms test 0: Phase 2.1 checking zip directory: 741 37/ test 0: Phase 2.1 checking zip directory: 745 37/37-13C/ test 0: Phase 2.1 checking zip directory: 746 37/37-cosy/ test 0: Phase 2.1 checking zip directory: 747 37/37-X-ray/ test 0: Phase 2.1 checking zip directory: 749 37/37-hmbc/ test 0: Phase 2.1 checking zip directory: 750 37/37-IR/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 47 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 47 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: Phase 2.1 checking zip directory: 752 37/37-hsqc/ test 0: Phase 2.1 checking zip directory: 753 37/37-1H/ test 0: Phase 2.1 checking zip directory: 2 37/37-1H/37-1H.zip|50/ test 0: Phase 2.1 checking zip directory: 8 37/37-1H/37-1H.zip|50/pdata/ test 0: Phase 2.1 checking zip directory: 9 37/37-1H/37-1H.zip|50/pdata/1/ test 0: !rezip pattern found 37/37-1H/37-1H.zip|50/ [IFDRepresentation type=null ref=[IFDReference Archive::37/37-1H/37-1H.zip|50/ :as::37_37-1H_37-1H.zip..50.zip]] test 0: 37_37-1H_37-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 37_37-1H_37-1H.mnova addProperty Title=Dec16-2021.50.fid test 0: 37_37-1H_37-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-212, CDCl3, Cp2ZrCl + Ph-pyr. test 0: 37_37-1H_37-1H.mnova addProperty Comment=TM-VI-212, CDCl3, Cp2ZrCl + Ph-pyr. test 0: 37_37-1H_37-1H.mnova addProperty Origin=Bruker test 0: 37_37-1H_37-1H.mnova addProperty Instrument=spect test 0: 37_37-1H_37-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 37_37-1H_37-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.0063 test 0: 37_37-1H_37-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 37_37-1H_37-1H.mnova addProperty Experiment=1D test 0: 37_37-1H_37-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 37_37-1H_37-1H.mnova addProperty Number of Scans=16 test 0: 37_37-1H_37-1H.mnova addProperty Receiver Gain=111.61 test 0: 37_37-1H_37-1H.mnova addProperty Relaxation Delay=1.0 test 0: 37_37-1H_37-1H.mnova addProperty Pulse Width=11.25 test 0: 37_37-1H_37-1H.mnova addProperty Acquisition Time=2.0447233 test 0: 37_37-1H_37-1H.mnova addProperty IFD.property.dataobject.timestamp=2021-12-16T12:01:00 test 0: 37_37-1H_37-1H.mnova addProperty Acquisition Date=2021-12-16T12:01:00 test 0: 37_37-1H_37-1H.mnova addProperty Modification Date=2021-12-16T12:01:46 test 0: 37_37-1H_37-1H.mnova addProperty Spectrum Quality=0 test 0: 37_37-1H_37-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41240246 test 0: 37_37-1H_37-1H.mnova addProperty Spectral Width=8012.82051282051 test 0: 37_37-1H_37-1H.mnova addProperty Lowest Frequency=-1615.56206212376 test 0: 37_37-1H_37-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 37_37-1H_37-1H.mnova addProperty Acquired Size=16384 test 0: 37_37-1H_37-1H.mnova addProperty Spectral Size=65536 test 0: 37_37-1H_37-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 37_37-1H_37-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 37_37-1H_37-1H.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 37_37-hsqc_37-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 37_37-hsqc_37-hmqc.mnova addProperty Title=Jun21-2022.22.ser test 0: 37_37-hsqc_37-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-212, CDCl3, new, hmqc test 0: 37_37-hsqc_37-hmqc.mnova addProperty Comment=TM-VI-212, CDCl3, new, hmqc test 0: 37_37-hsqc_37-hmqc.mnova addProperty Origin=Bruker test 0: 37_37-hsqc_37-hmqc.mnova addProperty Instrument=spect test 0: 37_37-hsqc_37-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 37_37-hsqc_37-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.2877 test 0: 37_37-hsqc_37-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmqcgpqf test 0: 37_37-hsqc_37-hmqc.mnova addProperty Experiment=HMQC test 0: 37_37-hsqc_37-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 37_37-hsqc_37-hmqc.mnova addProperty Number of Scans=4 test 0: 37_37-hsqc_37-hmqc.mnova addProperty Receiver Gain=199.76 test 0: 37_37-hsqc_37-hmqc.mnova addProperty Relaxation Delay=1.0 test 0: 37_37-hsqc_37-hmqc.mnova addProperty Pulse Width=9.5 test 0: 37_37-hsqc_37-hmqc.mnova addProperty Acquisition Time=0.079872 test 0: 37_37-hsqc_37-hmqc.mnova addProperty IFD.property.dataobject.timestamp=2022-06-21T16:41:49 test 0: 37_37-hsqc_37-hmqc.mnova addProperty Acquisition Date=2022-06-21T16:41:49 test 0: 37_37-hsqc_37-hmqc.mnova addProperty Modification Date=2022-06-21T16:56:25 test 0: 37_37-hsqc_37-hmqc.mnova addProperty Spectrum Quality=0 test 0: 37_37-hsqc_37-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.67161665984 test 0: 37_37-hsqc_37-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.32280224 test 0: 37_37-hsqc_37-hmqc.mnova addProperty Spectral Width=6410.25641025641 test 0: 37_37-hsqc_37-hmqc.mnova addProperty Lowest Frequency=-402.888205134134 test 0: 37_37-hsqc_37-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 37_37-hsqc_37-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 37_37-hsqc_37-hmqc.mnova addProperty Acquired Size=512 test 0: 37_37-hsqc_37-hmqc.mnova addProperty Spectral Size=512 test 0: 37_37-hsqc_37-hmqc.mnova addProperty Digital Resolution=12.5200320512821 test 0: 37_37-hsqc_37-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 37_37-hsqc_37-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 37_37-hsqc_37-hmqc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 37_37-hmbc_37-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 37_37-hmbc_37-hmbc.mnova addProperty Title=Jun21-2022.24.ser test 0: 37_37-hmbc_37-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-212, CDCl3, new, hmbc test 0: 37_37-hmbc_37-hmbc.mnova addProperty Comment=TM-VI-212, CDCl3, new, hmbc test 0: 37_37-hmbc_37-hmbc.mnova addProperty Origin=Bruker test 0: 37_37-hmbc_37-hmbc.mnova addProperty Instrument=spect test 0: 37_37-hmbc_37-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 37_37-hmbc_37-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.5287 test 0: 37_37-hmbc_37-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 37_37-hmbc_37-hmbc.mnova addProperty Experiment=HMBC test 0: 37_37-hmbc_37-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 37_37-hmbc_37-hmbc.mnova addProperty Number of Scans=8 test 0: 37_37-hmbc_37-hmbc.mnova addProperty Receiver Gain=199.76 test 0: 37_37-hmbc_37-hmbc.mnova addProperty Relaxation Delay=1.0 test 0: 37_37-hmbc_37-hmbc.mnova addProperty Pulse Width=9.5 test 0: 37_37-hmbc_37-hmbc.mnova addProperty Acquisition Time=0.079872 test 0: 37_37-hmbc_37-hmbc.mnova addProperty IFD.property.dataobject.timestamp=2022-06-21T20:36:58 test 0: 37_37-hmbc_37-hmbc.mnova addProperty Acquisition Date=2022-06-21T20:36:58 test 0: 37_37-hmbc_37-hmbc.mnova addProperty Modification Date=2022-06-21T21:07:38 test 0: 37_37-hmbc_37-hmbc.mnova addProperty Spectrum Quality=0 test 0: 37_37-hmbc_37-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.672623393296 test 0: 37_37-hmbc_37-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.32280224 test 0: 37_37-hmbc_37-hmbc.mnova addProperty Spectral Width=6410.25641025641 test 0: 37_37-hmbc_37-hmbc.mnova addProperty Lowest Frequency=-402.888205134134 test 0: 37_37-hmbc_37-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 37_37-hmbc_37-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 37_37-hmbc_37-hmbc.mnova addProperty Acquired Size=512 test 0: 37_37-hmbc_37-hmbc.mnova addProperty Spectral Size=512 test 0: 37_37-hmbc_37-hmbc.mnova addProperty Digital Resolution=12.5200320512821 test 0: 37_37-hmbc_37-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 37_37-hmbc_37-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 37_37-hmbc_37-hmbc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C33 H35 Cl N4 O8 Zr test 0: !Jmol Setting space group name to 15 test 0: !Jmol Setting space group name to HM:I 2/a test 0: !Jmol Setting space group name to Hall:-I 2ya test 0: !Jmol AB2149 test 0: !Jmol 36 bonds read test 0: !Jmol CIF creating molecule for 374 atoms using GEOM_BOND records test 0: !Jmol reading 93 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 1ABCDEFG test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 93 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 2 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C33 H35 Cl N4 O8 Zr test 0: !Jmol Setting space group name to 15 test 0: !Jmol Setting space group name to HM:I 2/a test 0: !Jmol Setting space group name to Hall:-I 2ya test 0: !Jmol AB2149 test 0: !Jmol reading 402 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 1ABCDEFGH test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 402 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 0 ms test 0: Phase 2.1 checking zip directory: 2 37/37-cosy/37-cosy.zip|21/ test 0: Phase 2.1 checking zip directory: 10 37/37-cosy/37-cosy.zip|21/pdata/ test 0: Phase 2.1 checking zip directory: 11 37/37-cosy/37-cosy.zip|21/pdata/1/ test 0: !rezip pattern found 37/37-cosy/37-cosy.zip|21/ [IFDRepresentation type=null ref=[IFDReference Archive::37/37-cosy/37-cosy.zip|21/ :as::37_37-cosy_37-cosy.zip..21.zip]] test 0: 37_37-cosy_37-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 37_37-cosy_37-cosy.mnova addProperty Title=Jun21-2022.21.ser test 0: 37_37-cosy_37-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-212, CDCl3, new, cosy test 0: 37_37-cosy_37-cosy.mnova addProperty Comment=TM-VI-212, CDCl3, new, cosy test 0: 37_37-cosy_37-cosy.mnova addProperty Origin=Bruker test 0: 37_37-cosy_37-cosy.mnova addProperty Instrument=spect test 0: 37_37-cosy_37-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 37_37-cosy_37-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.2695 test 0: 37_37-cosy_37-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=cosygpqf test 0: 37_37-cosy_37-cosy.mnova addProperty Experiment=COSY test 0: 37_37-cosy_37-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 37_37-cosy_37-cosy.mnova addProperty Number of Scans=4 test 0: 37_37-cosy_37-cosy.mnova addProperty Receiver Gain=143.03 test 0: 37_37-cosy_37-cosy.mnova addProperty Relaxation Delay=1.0 test 0: 37_37-cosy_37-cosy.mnova addProperty Pulse Width=9.5 test 0: 37_37-cosy_37-cosy.mnova addProperty Acquisition Time=0.10649599999999994 test 0: 37_37-cosy_37-cosy.mnova addProperty IFD.property.dataobject.timestamp=2022-06-21T16:02:22 test 0: 37_37-cosy_37-cosy.mnova addProperty Acquisition Date=2022-06-21T16:02:22 test 0: 37_37-cosy_37-cosy.mnova addProperty Modification Date=2022-06-21T16:11:57 test 0: 37_37-cosy_37-cosy.mnova addProperty Spectrum Quality=0 test 0: 37_37-cosy_37-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.3220016 test 0: 37_37-cosy_37-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.3220016 test 0: 37_37-cosy_37-cosy.mnova addProperty Spectral Width=4807.69230769229 test 0: 37_37-cosy_37-cosy.mnova addProperty Lowest Frequency=-402.2461538179 test 0: 37_37-cosy_37-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 37_37-cosy_37-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 37_37-cosy_37-cosy.mnova addProperty Acquired Size=512 test 0: 37_37-cosy_37-cosy.mnova addProperty Spectral Size=512 test 0: 37_37-cosy_37-cosy.mnova addProperty Digital Resolution=9.3900240384615 test 0: 37_37-cosy_37-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 37_37-cosy_37-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 37_37-cosy_37-cosy.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 37/37-13C/37-3C.zip|23/ test 0: Phase 2.1 checking zip directory: 10 37/37-13C/37-3C.zip|23/pdata/ test 0: Phase 2.1 checking zip directory: 11 37/37-13C/37-3C.zip|23/pdata/1/ test 0: !rezip pattern found 37/37-13C/37-3C.zip|23/ [IFDRepresentation type=null ref=[IFDReference Archive::37/37-13C/37-3C.zip|23/ :as::37_37-13C_37-3C.zip..23.zip]] test 0: 37_37-13C_37-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 37_37-13C_37-13C.mnova addProperty Title=Jun21-2022.23.fid test 0: 37_37-13C_37-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-212, CDCl3, new, 13C test 0: 37_37-13C_37-13C.mnova addProperty Comment=TM-VI-212, CDCl3, new, 13C test 0: 37_37-13C_37-13C.mnova addProperty Origin=Bruker test 0: 37_37-13C_37-13C.mnova addProperty Instrument=spect test 0: 37_37-13C_37-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 37_37-13C_37-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.9926 test 0: 37_37-13C_37-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 37_37-13C_37-13C.mnova addProperty Experiment=1D test 0: 37_37-13C_37-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 37_37-13C_37-13C.mnova addProperty Number of Scans=1200 test 0: 37_37-13C_37-13C.mnova addProperty Receiver Gain=199.76 test 0: 37_37-13C_37-13C.mnova addProperty Relaxation Delay=1.0 test 0: 37_37-13C_37-13C.mnova addProperty Pulse Width=9.25 test 0: 37_37-13C_37-13C.mnova addProperty Acquisition Time=0.5767168 test 0: 37_37-13C_37-13C.mnova addProperty IFD.property.dataobject.timestamp=2022-06-21T20:35:00 test 0: 37_37-13C_37-13C.mnova addProperty Acquisition Date=2022-06-21T20:35:00 test 0: 37_37-13C_37-13C.mnova addProperty Modification Date=2022-06-21T20:35:55 test 0: 37_37-13C_37-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.671616787854 test 0: 37_37-13C_37-13C.mnova addProperty Spectrum Quality=0 test 0: 37_37-13C_37-13C.mnova addProperty Spectral Width=28409.090909091 test 0: 37_37-13C_37-13C.mnova addProperty Lowest Frequency=-3126.68470054816 test 0: 37_37-13C_37-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 37_37-13C_37-13C.mnova addProperty Acquired Size=16384 test 0: 37_37-13C_37-13C.mnova addProperty Spectral Size=65536 test 0: 37_37-13C_37-13C.mnova addProperty Digital Resolution=0.433488325639206 test 0: 37_37-13C_37-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 37_37-13C_37-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 37_37-13C_37-13C.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 776 38/ test 0: Phase 2.1 checking zip directory: 777 38/38-X-ray/ test 0: Phase 2.1 checking zip directory: 779 38/38-hmbc/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 81 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 81 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: Phase 2.1 checking zip directory: 782 38/38-hmqc/ test 0: Phase 2.1 checking zip directory: 783 38/38-cosy/ test 0: Phase 2.1 checking zip directory: 784 38/38-1H/ test 0: Phase 2.1 checking zip directory: 786 38/38-IR/ test 0: Phase 2.1 checking zip directory: 788 38/38-13C/ test 0: 38_38-13C_38-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 38_38-13C_38-13C.mnova addProperty Title=Jun21-2022.43.fid test 0: 38_38-13C_38-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-391, CDCl3, 13C test 0: 38_38-13C_38-13C.mnova addProperty Comment=TM-VI-391, CDCl3, 13C test 0: 38_38-13C_38-13C.mnova addProperty Origin=Bruker test 0: 38_38-13C_38-13C.mnova addProperty Instrument=spect test 0: 38_38-13C_38-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 38_38-13C_38-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.0049 test 0: 38_38-13C_38-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 38_38-13C_38-13C.mnova addProperty Experiment=1D test 0: 38_38-13C_38-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 38_38-13C_38-13C.mnova addProperty Number of Scans=480 test 0: 38_38-13C_38-13C.mnova addProperty Receiver Gain=207.33 test 0: 38_38-13C_38-13C.mnova addProperty Relaxation Delay=1.0 test 0: 38_38-13C_38-13C.mnova addProperty Pulse Width=9.6 test 0: 38_38-13C_38-13C.mnova addProperty Acquisition Time=0.622592 test 0: 38_38-13C_38-13C.mnova addProperty IFD.property.dataobject.timestamp=2022-06-22T02:54:00 test 0: 38_38-13C_38-13C.mnova addProperty Acquisition Date=2022-06-22T02:54:00 test 0: 38_38-13C_38-13C.mnova addProperty Modification Date=2022-06-22T02:54:37 test 0: 38_38-13C_38-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.694248477066 test 0: 38_38-13C_38-13C.mnova addProperty Spectrum Quality=0 test 0: 38_38-13C_38-13C.mnova addProperty Spectral Width=26315.7894736842 test 0: 38_38-13C_38-13C.mnova addProperty Lowest Frequency=-2078.06505267591 test 0: 38_38-13C_38-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 38_38-13C_38-13C.mnova addProperty Acquired Size=16384 test 0: 38_38-13C_38-13C.mnova addProperty Spectral Size=65536 test 0: 38_38-13C_38-13C.mnova addProperty Digital Resolution=0.401547080592105 test 0: 38_38-13C_38-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 38_38-13C_38-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 38_38-13C_38-13C.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 38/38-13C/38-13C.zip|43/ test 0: Phase 2.1 checking zip directory: 9 38/38-13C/38-13C.zip|43/pdata/ test 0: Phase 2.1 checking zip directory: 10 38/38-13C/38-13C.zip|43/pdata/1/ test 0: !rezip pattern found 38/38-13C/38-13C.zip|43/ [IFDRepresentation type=null ref=[IFDReference Archive::38/38-13C/38-13C.zip|43/ :as::38_38-13C_38-13C.zip..43.zip]] test 0: 38_38-1H_38-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 38_38-1H_38-1H.mnova addProperty Title=Jun21-2022.40.fid test 0: 38_38-1H_38-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-391, CDCl3 test 0: 38_38-1H_38-1H.mnova addProperty Comment=TM-VI-391, CDCl3 test 0: 38_38-1H_38-1H.mnova addProperty Origin=Bruker test 0: 38_38-1H_38-1H.mnova addProperty Instrument=spect test 0: 38_38-1H_38-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 38_38-1H_38-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.2485 test 0: 38_38-1H_38-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 38_38-1H_38-1H.mnova addProperty Experiment=1D test 0: 38_38-1H_38-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 38_38-1H_38-1H.mnova addProperty Number of Scans=16 test 0: 38_38-1H_38-1H.mnova addProperty Receiver Gain=82.6 test 0: 38_38-1H_38-1H.mnova addProperty Relaxation Delay=1.0 test 0: 38_38-1H_38-1H.mnova addProperty Pulse Width=11.25 test 0: 38_38-1H_38-1H.mnova addProperty Acquisition Time=2.0447233 test 0: 38_38-1H_38-1H.mnova addProperty IFD.property.dataobject.timestamp=2022-06-21T17:21:00 test 0: 38_38-1H_38-1H.mnova addProperty Acquisition Date=2022-06-21T17:21:00 test 0: 38_38-1H_38-1H.mnova addProperty Modification Date=2022-06-21T17:21:24 test 0: 38_38-1H_38-1H.mnova addProperty Spectrum Quality=0 test 0: 38_38-1H_38-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41240246 test 0: 38_38-1H_38-1H.mnova addProperty Spectral Width=8012.82051282051 test 0: 38_38-1H_38-1H.mnova addProperty Lowest Frequency=-1610.03644423975 test 0: 38_38-1H_38-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 38_38-1H_38-1H.mnova addProperty Acquired Size=16384 test 0: 38_38-1H_38-1H.mnova addProperty Spectral Size=65536 test 0: 38_38-1H_38-1H.mnova addProperty Digital Resolution=0.122265938000801 test 0: 38_38-1H_38-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 38_38-1H_38-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 38_38-1H_38-1H.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 38/38-1H/38-1H.zip|40/ test 0: Phase 2.1 checking zip directory: 8 38/38-1H/38-1H.zip|40/pdata/ test 0: Phase 2.1 checking zip directory: 9 38/38-1H/38-1H.zip|40/pdata/1/ test 0: !rezip pattern found 38/38-1H/38-1H.zip|40/ [IFDRepresentation type=null ref=[IFDReference Archive::38/38-1H/38-1H.zip|40/ :as::38_38-1H_38-1H.zip..40.zip]] test 0: 38_38-cosy_38-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 38_38-cosy_38-cosy.mnova addProperty Title=Jun21-2022.41.ser test 0: 38_38-cosy_38-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-391, CDCl3, cosy test 0: 38_38-cosy_38-cosy.mnova addProperty Comment=TM-VI-391, CDCl3, cosy test 0: 38_38-cosy_38-cosy.mnova addProperty Origin=Bruker test 0: 38_38-cosy_38-cosy.mnova addProperty Instrument=spect test 0: 38_38-cosy_38-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 38_38-cosy_38-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.1785 test 0: 38_38-cosy_38-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=cosygpqf test 0: 38_38-cosy_38-cosy.mnova addProperty Experiment=COSY test 0: 38_38-cosy_38-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 38_38-cosy_38-cosy.mnova addProperty Number of Scans=4 test 0: 38_38-cosy_38-cosy.mnova addProperty Receiver Gain=165.57 test 0: 38_38-cosy_38-cosy.mnova addProperty Relaxation Delay=1.0 test 0: 38_38-cosy_38-cosy.mnova addProperty Pulse Width=11.25 test 0: 38_38-cosy_38-cosy.mnova addProperty Acquisition Time=0.10649599999999994 test 0: 38_38-cosy_38-cosy.mnova addProperty IFD.property.dataobject.timestamp=2022-06-22T02:22:04 test 0: 38_38-cosy_38-cosy.mnova addProperty Acquisition Date=2022-06-22T02:22:04 test 0: 38_38-cosy_38-cosy.mnova addProperty Modification Date=2022-06-22T02:31:03 test 0: 38_38-cosy_38-cosy.mnova addProperty Spectrum Quality=0 test 0: 38_38-cosy_38-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.41200205 test 0: 38_38-cosy_38-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41200205 test 0: 38_38-cosy_38-cosy.mnova addProperty Spectral Width=4807.69230769231 test 0: 38_38-cosy_38-cosy.mnova addProperty Lowest Frequency=-401.796153858833 test 0: 38_38-cosy_38-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 38_38-cosy_38-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 38_38-cosy_38-cosy.mnova addProperty Acquired Size=512 test 0: 38_38-cosy_38-cosy.mnova addProperty Spectral Size=512 test 0: 38_38-cosy_38-cosy.mnova addProperty Digital Resolution=9.39002403846154 test 0: 38_38-cosy_38-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 38_38-cosy_38-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 38_38-cosy_38-cosy.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 38/38-cosy/38-cosy.zip|41/ test 0: Phase 2.1 checking zip directory: 9 38/38-cosy/38-cosy.zip|41/pdata/ test 0: Phase 2.1 checking zip directory: 10 38/38-cosy/38-cosy.zip|41/pdata/1/ test 0: !rezip pattern found 38/38-cosy/38-cosy.zip|41/ [IFDRepresentation type=null ref=[IFDReference Archive::38/38-cosy/38-cosy.zip|41/ :as::38_38-cosy_38-cosy.zip..41.zip]] test 0: 38_38-hmqc_38-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 38_38-hmqc_38-hmqc.mnova addProperty Title=Jun21-2022.42.ser test 0: 38_38-hmqc_38-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-391, CDCl3, hmqc test 0: 38_38-hmqc_38-hmqc.mnova addProperty Comment=TM-VI-391, CDCl3, hmqc test 0: 38_38-hmqc_38-hmqc.mnova addProperty Origin=Bruker test 0: 38_38-hmqc_38-hmqc.mnova addProperty Instrument=spect test 0: 38_38-hmqc_38-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 38_38-hmqc_38-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.1425 test 0: 38_38-hmqc_38-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmqcgpqf test 0: 38_38-hmqc_38-hmqc.mnova addProperty Experiment=HMQC test 0: 38_38-hmqc_38-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 38_38-hmqc_38-hmqc.mnova addProperty Number of Scans=4 test 0: 38_38-hmqc_38-hmqc.mnova addProperty Receiver Gain=207.33 test 0: 38_38-hmqc_38-hmqc.mnova addProperty Relaxation Delay=1.0 test 0: 38_38-hmqc_38-hmqc.mnova addProperty Pulse Width=11.25 test 0: 38_38-hmqc_38-hmqc.mnova addProperty Acquisition Time=0.079872 test 0: 38_38-hmqc_38-hmqc.mnova addProperty IFD.property.dataobject.timestamp=2022-06-22T02:31:35 test 0: 38_38-hmqc_38-hmqc.mnova addProperty Acquisition Date=2022-06-22T02:31:35 test 0: 38_38-hmqc_38-hmqc.mnova addProperty Modification Date=2022-06-22T02:40:55 test 0: 38_38-hmqc_38-hmqc.mnova addProperty Spectrum Quality=0 test 0: 38_38-hmqc_38-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.69425014925 test 0: 38_38-hmqc_38-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41280287 test 0: 38_38-hmqc_38-hmqc.mnova addProperty Spectral Width=6410.25641025643 test 0: 38_38-hmqc_38-hmqc.mnova addProperty Lowest Frequency=-402.258205145964 test 0: 38_38-hmqc_38-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 38_38-hmqc_38-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 38_38-hmqc_38-hmqc.mnova addProperty Acquired Size=512 test 0: 38_38-hmqc_38-hmqc.mnova addProperty Spectral Size=512 test 0: 38_38-hmqc_38-hmqc.mnova addProperty Digital Resolution=12.5200320512821 test 0: 38_38-hmqc_38-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 38_38-hmqc_38-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 38_38-hmqc_38-hmqc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 38_38-hmbc_38-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 38_38-hmbc_38-hmbc.mnova addProperty Title=Jun21-2022.44.ser test 0: 38_38-hmbc_38-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-391, CDCl3, hmbc test 0: 38_38-hmbc_38-hmbc.mnova addProperty Comment=TM-VI-391, CDCl3, hmbc test 0: 38_38-hmbc_38-hmbc.mnova addProperty Origin=Bruker test 0: 38_38-hmbc_38-hmbc.mnova addProperty Instrument=spect test 0: 38_38-hmbc_38-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 38_38-hmbc_38-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.756 test 0: 38_38-hmbc_38-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 38_38-hmbc_38-hmbc.mnova addProperty Experiment=HMBC test 0: 38_38-hmbc_38-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 38_38-hmbc_38-hmbc.mnova addProperty Number of Scans=8 test 0: 38_38-hmbc_38-hmbc.mnova addProperty Receiver Gain=207.33 test 0: 38_38-hmbc_38-hmbc.mnova addProperty Relaxation Delay=1.0 test 0: 38_38-hmbc_38-hmbc.mnova addProperty Pulse Width=11.25 test 0: 38_38-hmbc_38-hmbc.mnova addProperty Acquisition Time=0.08519680000000006 test 0: 38_38-hmbc_38-hmbc.mnova addProperty IFD.property.dataobject.timestamp=2022-06-22T02:55:14 test 0: 38_38-hmbc_38-hmbc.mnova addProperty Acquisition Date=2022-06-22T02:55:14 test 0: 38_38-hmbc_38-hmbc.mnova addProperty Modification Date=2022-06-22T03:14:55 test 0: 38_38-hmbc_38-hmbc.mnova addProperty Spectrum Quality=0 test 0: 38_38-hmbc_38-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.6952553088 test 0: 38_38-hmbc_38-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41280287 test 0: 38_38-hmbc_38-hmbc.mnova addProperty Spectral Width=6009.61538461538 test 0: 38_38-hmbc_38-hmbc.mnova addProperty Lowest Frequency=-201.937692325443 test 0: 38_38-hmbc_38-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 38_38-hmbc_38-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 38_38-hmbc_38-hmbc.mnova addProperty Acquired Size=512 test 0: 38_38-hmbc_38-hmbc.mnova addProperty Spectral Size=512 test 0: 38_38-hmbc_38-hmbc.mnova addProperty Digital Resolution=11.7375300480769 test 0: 38_38-hmbc_38-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 38_38-hmbc_38-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 38_38-hmbc_38-hmbc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 38/38-hmbc/38-hmbc.zip|44/ test 0: Phase 2.1 checking zip directory: 9 38/38-hmbc/38-hmbc.zip|44/pdata/ test 0: Phase 2.1 checking zip directory: 10 38/38-hmbc/38-hmbc.zip|44/pdata/1/ test 0: !rezip pattern found 38/38-hmbc/38-hmbc.zip|44/ [IFDRepresentation type=null ref=[IFDReference Archive::38/38-hmbc/38-hmbc.zip|44/ :as::38_38-hmbc_38-hmbc.zip..44.zip]] test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C60 H58 N8 O14 Zr2 test 0: !Jmol Setting space group name to 86 test 0: !Jmol Setting space group name to HM:P 42/n test 0: !Jmol Setting space group name to Hall:-P 4bc test 0: !Jmol AB2157 test 0: !Jmol 51 bonds read test 0: !Jmol CIF creating molecule for 540 atoms using GEOM_BOND records test 0: !Jmol reading 135 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 135 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 0 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C60 H58 N8 O14 Zr2 test 0: !Jmol Setting space group name to 86 test 0: !Jmol Setting space group name to HM:P 42/n test 0: !Jmol Setting space group name to Hall:-P 4bc test 0: !Jmol AB2157 test 0: !Jmol reading 618 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 618 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 0 ms test 0: Phase 2.1 checking zip directory: 811 39/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: N An atom in this label has an invalid valence. test 0: !Jmol Warning: N An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 60 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 60 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 0 ms test 0: Phase 2.1 checking zip directory: 815 39/39-X-ray/ test 0: Phase 2.1 checking zip directory: 817 39/39-hmbc/ test 0: Phase 2.1 checking zip directory: 818 39/39b-X-ray/ test 0: Phase 2.1 checking zip directory: 819 39/39-IR/ test 0: Phase 2.1 checking zip directory: 820 39/39-1H/ test 0: Phase 2.1 checking zip directory: 821 39/39-cosy/ test 0: Phase 2.1 checking zip directory: 822 39/39-hmqc/ test 0: Phase 2.1 checking zip directory: 824 39/39-13C/ test 0: 39_39-13C_39-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 39_39-13C_39-13C.mnova addProperty Title=Nov10-2021.43.fid test 0: 39_39-13C_39-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-156 13C test 0: 39_39-13C_39-13C.mnova addProperty Comment=TM-VI-156 13C test 0: 39_39-13C_39-13C.mnova addProperty Origin=Bruker test 0: 39_39-13C_39-13C.mnova addProperty Instrument=spect test 0: 39_39-13C_39-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CD2Cl2 test 0: 39_39-13C_39-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.9789 test 0: 39_39-13C_39-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 39_39-13C_39-13C.mnova addProperty Experiment=1D test 0: 39_39-13C_39-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 39_39-13C_39-13C.mnova addProperty Number of Scans=1200 test 0: 39_39-13C_39-13C.mnova addProperty Receiver Gain=207.33 test 0: 39_39-13C_39-13C.mnova addProperty Relaxation Delay=1.0 test 0: 39_39-13C_39-13C.mnova addProperty Pulse Width=9.6 test 0: 39_39-13C_39-13C.mnova addProperty Acquisition Time=0.622592 test 0: 39_39-13C_39-13C.mnova addProperty IFD.property.dataobject.timestamp=2021-11-11T01:38:00 test 0: 39_39-13C_39-13C.mnova addProperty Acquisition Date=2021-11-11T01:38:00 test 0: 39_39-13C_39-13C.mnova addProperty Modification Date=2021-11-11T01:38:58 test 0: 39_39-13C_39-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.694248477066 test 0: 39_39-13C_39-13C.mnova addProperty Spectrum Quality=0 test 0: 39_39-13C_39-13C.mnova addProperty Spectral Width=26315.7894736842 test 0: 39_39-13C_39-13C.mnova addProperty Lowest Frequency=-2044.30765345373 test 0: 39_39-13C_39-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 39_39-13C_39-13C.mnova addProperty Acquired Size=16384 test 0: 39_39-13C_39-13C.mnova addProperty Spectral Size=65536 test 0: 39_39-13C_39-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 39_39-13C_39-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 39_39-13C_39-13C.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 39/39-13C/39-13C.zip|43/ test 0: Phase 2.1 checking zip directory: 10 39/39-13C/39-13C.zip|43/pdata/ test 0: Phase 2.1 checking zip directory: 11 39/39-13C/39-13C.zip|43/pdata/1/ test 0: !rezip pattern found 39/39-13C/39-13C.zip|43/ [IFDRepresentation type=null ref=[IFDReference Archive::39/39-13C/39-13C.zip|43/ :as::39_39-13C_39-13C.zip..43.zip]] test 0: 39_39-hmqc_39-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 39_39-hmqc_39-hmqc.mnova addProperty Title=Nov10-2021.42.ser test 0: 39_39-hmqc_39-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-156 hmqc test 0: 39_39-hmqc_39-hmqc.mnova addProperty Comment=TM-VI-156 hmqc test 0: 39_39-hmqc_39-hmqc.mnova addProperty Origin=Bruker test 0: 39_39-hmqc_39-hmqc.mnova addProperty Instrument=spect test 0: 39_39-hmqc_39-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CD2Cl2 test 0: 39_39-hmqc_39-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=293.9146 test 0: 39_39-hmqc_39-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmqcgpqf test 0: 39_39-hmqc_39-hmqc.mnova addProperty Experiment=HMQC test 0: 39_39-hmqc_39-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 39_39-hmqc_39-hmqc.mnova addProperty Number of Scans=4 test 0: 39_39-hmqc_39-hmqc.mnova addProperty Receiver Gain=207.33 test 0: 39_39-hmqc_39-hmqc.mnova addProperty Relaxation Delay=1.0 test 0: 39_39-hmqc_39-hmqc.mnova addProperty Pulse Width=11.25 test 0: 39_39-hmqc_39-hmqc.mnova addProperty Acquisition Time=0.10649599999999994 test 0: 39_39-hmqc_39-hmqc.mnova addProperty IFD.property.dataobject.timestamp=2021-11-10T13:57:58 test 0: 39_39-hmqc_39-hmqc.mnova addProperty Acquisition Date=2021-11-10T13:57:58 test 0: 39_39-hmqc_39-hmqc.mnova addProperty Modification Date=2021-11-10T14:07:32 test 0: 39_39-hmqc_39-hmqc.mnova addProperty Spectrum Quality=0 test 0: 39_39-hmqc_39-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.692234813598 test 0: 39_39-hmqc_39-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41200205 test 0: 39_39-hmqc_39-hmqc.mnova addProperty Spectral Width=4807.69230769231 test 0: 39_39-hmqc_39-hmqc.mnova addProperty Lowest Frequency=-401.796153858833 test 0: 39_39-hmqc_39-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 39_39-hmqc_39-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 39_39-hmqc_39-hmqc.mnova addProperty Acquired Size=512 test 0: 39_39-hmqc_39-hmqc.mnova addProperty Spectral Size=512 test 0: 39_39-hmqc_39-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 39_39-hmqc_39-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 39_39-hmqc_39-hmqc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 39_39-cosy_39-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 39_39-cosy_39-cosy.mnova addProperty Title=Nov10-2021.41.ser test 0: 39_39-cosy_39-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-156 cosy test 0: 39_39-cosy_39-cosy.mnova addProperty Comment=TM-VI-156 cosy test 0: 39_39-cosy_39-cosy.mnova addProperty Origin=Bruker test 0: 39_39-cosy_39-cosy.mnova addProperty Instrument=spect test 0: 39_39-cosy_39-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CD2Cl2 test 0: 39_39-cosy_39-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=293.8636 test 0: 39_39-cosy_39-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=cosygpqf test 0: 39_39-cosy_39-cosy.mnova addProperty Experiment=COSY test 0: 39_39-cosy_39-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 39_39-cosy_39-cosy.mnova addProperty Number of Scans=4 test 0: 39_39-cosy_39-cosy.mnova addProperty Receiver Gain=207.33 test 0: 39_39-cosy_39-cosy.mnova addProperty Relaxation Delay=1.0 test 0: 39_39-cosy_39-cosy.mnova addProperty Pulse Width=11.25 test 0: 39_39-cosy_39-cosy.mnova addProperty Acquisition Time=0.10649599999999994 test 0: 39_39-cosy_39-cosy.mnova addProperty IFD.property.dataobject.timestamp=2021-11-10T13:47:53 test 0: 39_39-cosy_39-cosy.mnova addProperty Acquisition Date=2021-11-10T13:47:53 test 0: 39_39-cosy_39-cosy.mnova addProperty Modification Date=2021-11-10T13:56:52 test 0: 39_39-cosy_39-cosy.mnova addProperty Spectrum Quality=0 test 0: 39_39-cosy_39-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.41200205 test 0: 39_39-cosy_39-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41200205 test 0: 39_39-cosy_39-cosy.mnova addProperty Spectral Width=4807.69230769231 test 0: 39_39-cosy_39-cosy.mnova addProperty Lowest Frequency=-401.796153858833 test 0: 39_39-cosy_39-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 39_39-cosy_39-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 39_39-cosy_39-cosy.mnova addProperty Acquired Size=512 test 0: 39_39-cosy_39-cosy.mnova addProperty Spectral Size=512 test 0: 39_39-cosy_39-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 39_39-cosy_39-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 39_39-cosy_39-cosy.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 39/39-cosy/39-cosy.zip|41/ test 0: Phase 2.1 checking zip directory: 9 39/39-cosy/39-cosy.zip|41/pdata/ test 0: Phase 2.1 checking zip directory: 10 39/39-cosy/39-cosy.zip|41/pdata/1/ test 0: !rezip pattern found 39/39-cosy/39-cosy.zip|41/ [IFDRepresentation type=null ref=[IFDReference Archive::39/39-cosy/39-cosy.zip|41/ :as::39_39-cosy_39-cosy.zip..41.zip]] test 0: Phase 2.1 checking zip directory: 2 39/39-1H/39-1H.zip|40/ test 0: Phase 2.1 checking zip directory: 9 39/39-1H/39-1H.zip|40/pdata/ test 0: Phase 2.1 checking zip directory: 10 39/39-1H/39-1H.zip|40/pdata/1/ test 0: !rezip pattern found 39/39-1H/39-1H.zip|40/ [IFDRepresentation type=null ref=[IFDReference Archive::39/39-1H/39-1H.zip|40/ :as::39_39-1H_39-1H.zip..40.zip]] test 0: 39_39-1H_39-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 39_39-1H_39-1H.mnova addProperty Title=Nov10-2021.40.fid test 0: 39_39-1H_39-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-156 test 0: 39_39-1H_39-1H.mnova addProperty Comment=TM-VI-156 test 0: 39_39-1H_39-1H.mnova addProperty Origin=Bruker test 0: 39_39-1H_39-1H.mnova addProperty Instrument=spect test 0: 39_39-1H_39-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CD2Cl2 test 0: 39_39-1H_39-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=293.8554 test 0: 39_39-1H_39-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 39_39-1H_39-1H.mnova addProperty Experiment=1D test 0: 39_39-1H_39-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 39_39-1H_39-1H.mnova addProperty Number of Scans=16 test 0: 39_39-1H_39-1H.mnova addProperty Receiver Gain=207.33 test 0: 39_39-1H_39-1H.mnova addProperty Relaxation Delay=1.0 test 0: 39_39-1H_39-1H.mnova addProperty Pulse Width=11.25 test 0: 39_39-1H_39-1H.mnova addProperty Acquisition Time=2.0447233 test 0: 39_39-1H_39-1H.mnova addProperty IFD.property.dataobject.timestamp=2021-11-10T13:45:00 test 0: 39_39-1H_39-1H.mnova addProperty Acquisition Date=2021-11-10T13:45:00 test 0: 39_39-1H_39-1H.mnova addProperty Modification Date=2021-11-10T13:45:53 test 0: 39_39-1H_39-1H.mnova addProperty Spectrum Quality=0 test 0: 39_39-1H_39-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41240246 test 0: 39_39-1H_39-1H.mnova addProperty Spectral Width=8012.82051282051 test 0: 39_39-1H_39-1H.mnova addProperty Lowest Frequency=-1621.36799876308 test 0: 39_39-1H_39-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 39_39-1H_39-1H.mnova addProperty Acquired Size=16384 test 0: 39_39-1H_39-1H.mnova addProperty Spectral Size=65536 test 0: 39_39-1H_39-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 39_39-1H_39-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 39_39-1H_39-1H.mnova addProperty mnovaVersion=14.1.1-24571 test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C36 H44 N4 O16 Rh2 test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2143 test 0: !Jmol 35 bonds read test 0: !Jmol CIF creating molecule for 116 atoms using GEOM_BOND records test 0: !Jmol reading 116 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 116 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 0 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C36 H44 N4 O16 Rh2 test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2143 test 0: !Jmol reading 124 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 124 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 0 ms test 0: Phase 2.1 checking zip directory: 2 39/39-hmbc/39-hmbc.zip|44/ test 0: Phase 2.1 checking zip directory: 9 39/39-hmbc/39-hmbc.zip|44/pdata/ test 0: Phase 2.1 checking zip directory: 10 39/39-hmbc/39-hmbc.zip|44/pdata/1/ test 0: !rezip pattern found 39/39-hmbc/39-hmbc.zip|44/ [IFDRepresentation type=null ref=[IFDReference Archive::39/39-hmbc/39-hmbc.zip|44/ :as::39_39-hmbc_39-hmbc.zip..44.zip]] test 0: 39_39-hmbc_39-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 39_39-hmbc_39-hmbc.mnova addProperty Title=Nov10-2021.44.ser test 0: 39_39-hmbc_39-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-156 hmbc test 0: 39_39-hmbc_39-hmbc.mnova addProperty Comment=TM-VI-156 hmbc test 0: 39_39-hmbc_39-hmbc.mnova addProperty Origin=Bruker test 0: 39_39-hmbc_39-hmbc.mnova addProperty Instrument=spect test 0: 39_39-hmbc_39-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CD2Cl2 test 0: 39_39-hmbc_39-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.7307 test 0: 39_39-hmbc_39-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 39_39-hmbc_39-hmbc.mnova addProperty Experiment=HMBC test 0: 39_39-hmbc_39-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 39_39-hmbc_39-hmbc.mnova addProperty Number of Scans=8 test 0: 39_39-hmbc_39-hmbc.mnova addProperty Receiver Gain=207.33 test 0: 39_39-hmbc_39-hmbc.mnova addProperty Relaxation Delay=1.0 test 0: 39_39-hmbc_39-hmbc.mnova addProperty Pulse Width=11.25 test 0: 39_39-hmbc_39-hmbc.mnova addProperty Acquisition Time=0.08519680000000006 test 0: 39_39-hmbc_39-hmbc.mnova addProperty IFD.property.dataobject.timestamp=2021-11-11T01:39:36 test 0: 39_39-hmbc_39-hmbc.mnova addProperty Acquisition Date=2021-11-11T01:39:36 test 0: 39_39-hmbc_39-hmbc.mnova addProperty Modification Date=2021-11-11T01:59:17 test 0: 39_39-hmbc_39-hmbc.mnova addProperty Spectrum Quality=0 test 0: 39_39-hmbc_39-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.6952553088 test 0: 39_39-hmbc_39-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41280287 test 0: 39_39-hmbc_39-hmbc.mnova addProperty Spectral Width=6009.61538461538 test 0: 39_39-hmbc_39-hmbc.mnova addProperty Lowest Frequency=-201.937692325443 test 0: 39_39-hmbc_39-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 39_39-hmbc_39-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 39_39-hmbc_39-hmbc.mnova addProperty Acquired Size=512 test 0: 39_39-hmbc_39-hmbc.mnova addProperty Spectral Size=512 test 0: 39_39-hmbc_39-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 39_39-hmbc_39-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 39_39-hmbc_39-hmbc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C42 H49 Cl N4 O16 Rh2 test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2146 test 0: !Jmol error reading uncertainty for 1.3900 on line C41 C42 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C41 C46 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C42 C43 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C43 C44 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C44 C45 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C45 C46 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C41' C42' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C41' C46' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C42' C43' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C43' C44' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C44' C45' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C45' C46' 1.3900 . ? test 0: !Jmol 47 bonds read test 0: !Jmol CIF creating molecule for 150 atoms using GEOM_BOND records test 0: !Jmol reading 150 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12AB test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 150 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 0 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C42 H49 Cl N4 O16 Rh2 test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2146 test 0: !Jmol reading 170 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12ABCD test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 170 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 2 ms test 0: Phase 2.1 checking zip directory: 848 40/ test 0: Phase 2.1 checking zip directory: 849 40/40-IR/ test 0: Phase 2.1 checking zip directory: 850 40/40-1H/ test 0: Phase 2.1 checking zip directory: 851 40/40-X-ray/ test 0: Phase 2.1 checking zip directory: 854 40/40-13C/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: N An atom in this label has an invalid valence. test 0: !Jmol Warning: N An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 52 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 52 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: Phase 2.1 checking zip directory: 856 40/40-cosy/ test 0: Phase 2.1 checking zip directory: 857 40/40-hmqc/ test 0: Phase 2.1 checking zip directory: 859 40/40-hmbc/ test 0: Phase 2.1 checking zip directory: 2 40/40-hmbc/40-hmbc.zip|24/ test 0: Phase 2.1 checking zip directory: 9 40/40-hmbc/40-hmbc.zip|24/pdata/ test 0: Phase 2.1 checking zip directory: 10 40/40-hmbc/40-hmbc.zip|24/pdata/1/ test 0: !rezip pattern found 40/40-hmbc/40-hmbc.zip|24/ [IFDRepresentation type=null ref=[IFDReference Archive::40/40-hmbc/40-hmbc.zip|24/ :as::40_40-hmbc_40-hmbc.zip..24.zip]] test 0: 40_40-hmbc_40-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 40_40-hmbc_40-hmbc.mnova addProperty Title=Nov11-2021.24.ser test 0: 40_40-hmbc_40-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-158 hmbc test 0: 40_40-hmbc_40-hmbc.mnova addProperty Comment=TM-VI-158 hmbc test 0: 40_40-hmbc_40-hmbc.mnova addProperty Origin=Bruker test 0: 40_40-hmbc_40-hmbc.mnova addProperty Instrument=spect test 0: 40_40-hmbc_40-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CD2Cl2 test 0: 40_40-hmbc_40-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.7993 test 0: 40_40-hmbc_40-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 40_40-hmbc_40-hmbc.mnova addProperty Experiment=HMBC test 0: 40_40-hmbc_40-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 40_40-hmbc_40-hmbc.mnova addProperty Number of Scans=8 test 0: 40_40-hmbc_40-hmbc.mnova addProperty Receiver Gain=207.33 test 0: 40_40-hmbc_40-hmbc.mnova addProperty Relaxation Delay=1.0 test 0: 40_40-hmbc_40-hmbc.mnova addProperty Pulse Width=11.25 test 0: 40_40-hmbc_40-hmbc.mnova addProperty Acquisition Time=0.08519680000000006 test 0: 40_40-hmbc_40-hmbc.mnova addProperty IFD.property.dataobject.timestamp=2021-11-11T21:27:25 test 0: 40_40-hmbc_40-hmbc.mnova addProperty Acquisition Date=2021-11-11T21:27:25 test 0: 40_40-hmbc_40-hmbc.mnova addProperty Modification Date=2021-11-11T21:47:05 test 0: 40_40-hmbc_40-hmbc.mnova addProperty Spectrum Quality=0 test 0: 40_40-hmbc_40-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.6952553088 test 0: 40_40-hmbc_40-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41280287 test 0: 40_40-hmbc_40-hmbc.mnova addProperty Spectral Width=6009.61538461538 test 0: 40_40-hmbc_40-hmbc.mnova addProperty Lowest Frequency=-201.937692325443 test 0: 40_40-hmbc_40-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 40_40-hmbc_40-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 40_40-hmbc_40-hmbc.mnova addProperty Acquired Size=512 test 0: 40_40-hmbc_40-hmbc.mnova addProperty Spectral Size=512 test 0: 40_40-hmbc_40-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 40_40-hmbc_40-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 40_40-hmbc_40-hmbc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 40_40-hmqc_40-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 40_40-hmqc_40-hmqc.mnova addProperty Title=Nov11-2021.22.ser test 0: 40_40-hmqc_40-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-158 hmqc test 0: 40_40-hmqc_40-hmqc.mnova addProperty Comment=TM-VI-158 hmqc test 0: 40_40-hmqc_40-hmqc.mnova addProperty Origin=Bruker test 0: 40_40-hmqc_40-hmqc.mnova addProperty Instrument=spect test 0: 40_40-hmqc_40-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CD2Cl2 test 0: 40_40-hmqc_40-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.1441 test 0: 40_40-hmqc_40-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmqcgpqf test 0: 40_40-hmqc_40-hmqc.mnova addProperty Experiment=HMQC test 0: 40_40-hmqc_40-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 40_40-hmqc_40-hmqc.mnova addProperty Number of Scans=4 test 0: 40_40-hmqc_40-hmqc.mnova addProperty Receiver Gain=207.33 test 0: 40_40-hmqc_40-hmqc.mnova addProperty Relaxation Delay=1.0 test 0: 40_40-hmqc_40-hmqc.mnova addProperty Pulse Width=11.25 test 0: 40_40-hmqc_40-hmqc.mnova addProperty Acquisition Time=0.10649599999999994 test 0: 40_40-hmqc_40-hmqc.mnova addProperty IFD.property.dataobject.timestamp=2021-11-11T10:47:59 test 0: 40_40-hmqc_40-hmqc.mnova addProperty Acquisition Date=2021-11-11T10:47:59 test 0: 40_40-hmqc_40-hmqc.mnova addProperty Modification Date=2021-11-11T10:57:33 test 0: 40_40-hmqc_40-hmqc.mnova addProperty Spectrum Quality=0 test 0: 40_40-hmqc_40-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.692234813598 test 0: 40_40-hmqc_40-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41200205 test 0: 40_40-hmqc_40-hmqc.mnova addProperty Spectral Width=4807.69230769231 test 0: 40_40-hmqc_40-hmqc.mnova addProperty Lowest Frequency=-401.796153858833 test 0: 40_40-hmqc_40-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 40_40-hmqc_40-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 40_40-hmqc_40-hmqc.mnova addProperty Acquired Size=512 test 0: 40_40-hmqc_40-hmqc.mnova addProperty Spectral Size=512 test 0: 40_40-hmqc_40-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 40_40-hmqc_40-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 40_40-hmqc_40-hmqc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 40_40-cosy_40-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 40_40-cosy_40-cosy.mnova addProperty Title=Nov11-2021.21.ser test 0: 40_40-cosy_40-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-158 cosy test 0: 40_40-cosy_40-cosy.mnova addProperty Comment=TM-VI-158 cosy test 0: 40_40-cosy_40-cosy.mnova addProperty Origin=Bruker test 0: 40_40-cosy_40-cosy.mnova addProperty Instrument=spect test 0: 40_40-cosy_40-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CD2Cl2 test 0: 40_40-cosy_40-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.1624 test 0: 40_40-cosy_40-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=cosygpqf test 0: 40_40-cosy_40-cosy.mnova addProperty Experiment=COSY test 0: 40_40-cosy_40-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 40_40-cosy_40-cosy.mnova addProperty Number of Scans=4 test 0: 40_40-cosy_40-cosy.mnova addProperty Receiver Gain=207.33 test 0: 40_40-cosy_40-cosy.mnova addProperty Relaxation Delay=1.0 test 0: 40_40-cosy_40-cosy.mnova addProperty Pulse Width=11.25 test 0: 40_40-cosy_40-cosy.mnova addProperty Acquisition Time=0.10649599999999994 test 0: 40_40-cosy_40-cosy.mnova addProperty IFD.property.dataobject.timestamp=2021-11-11T10:38:06 test 0: 40_40-cosy_40-cosy.mnova addProperty Acquisition Date=2021-11-11T10:38:06 test 0: 40_40-cosy_40-cosy.mnova addProperty Modification Date=2021-11-11T10:47:05 test 0: 40_40-cosy_40-cosy.mnova addProperty Spectrum Quality=0 test 0: 40_40-cosy_40-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.41200205 test 0: 40_40-cosy_40-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41200205 test 0: 40_40-cosy_40-cosy.mnova addProperty Spectral Width=4807.69230769231 test 0: 40_40-cosy_40-cosy.mnova addProperty Lowest Frequency=-401.796153858833 test 0: 40_40-cosy_40-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 40_40-cosy_40-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 40_40-cosy_40-cosy.mnova addProperty Acquired Size=512 test 0: 40_40-cosy_40-cosy.mnova addProperty Spectral Size=512 test 0: 40_40-cosy_40-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 40_40-cosy_40-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 40_40-cosy_40-cosy.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 40/40-cosy/40-cosy.zip|21/ test 0: Phase 2.1 checking zip directory: 9 40/40-cosy/40-cosy.zip|21/pdata/ test 0: Phase 2.1 checking zip directory: 10 40/40-cosy/40-cosy.zip|21/pdata/1/ test 0: !rezip pattern found 40/40-cosy/40-cosy.zip|21/ [IFDRepresentation type=null ref=[IFDReference Archive::40/40-cosy/40-cosy.zip|21/ :as::40_40-cosy_40-cosy.zip..21.zip]] test 0: Phase 2.1 checking zip directory: 2 40/40-13C/40-13C.zip|23/ test 0: Phase 2.1 checking zip directory: 10 40/40-13C/40-13C.zip|23/pdata/ test 0: Phase 2.1 checking zip directory: 11 40/40-13C/40-13C.zip|23/pdata/1/ test 0: !rezip pattern found 40/40-13C/40-13C.zip|23/ [IFDRepresentation type=null ref=[IFDReference Archive::40/40-13C/40-13C.zip|23/ :as::40_40-13C_40-13C.zip..23.zip]] test 0: 40_40-13C_40-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 40_40-13C_40-13C.mnova addProperty Title=Nov11-2021.23.fid test 0: 40_40-13C_40-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-158 13C test 0: 40_40-13C_40-13C.mnova addProperty Comment=TM-VI-158 13C test 0: 40_40-13C_40-13C.mnova addProperty Origin=Bruker test 0: 40_40-13C_40-13C.mnova addProperty Instrument=spect test 0: 40_40-13C_40-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CD2Cl2 test 0: 40_40-13C_40-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.0538 test 0: 40_40-13C_40-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 40_40-13C_40-13C.mnova addProperty Experiment=1D test 0: 40_40-13C_40-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 40_40-13C_40-13C.mnova addProperty Number of Scans=1200 test 0: 40_40-13C_40-13C.mnova addProperty Receiver Gain=207.33 test 0: 40_40-13C_40-13C.mnova addProperty Relaxation Delay=1.0 test 0: 40_40-13C_40-13C.mnova addProperty Pulse Width=9.6 test 0: 40_40-13C_40-13C.mnova addProperty Acquisition Time=0.622592 test 0: 40_40-13C_40-13C.mnova addProperty IFD.property.dataobject.timestamp=2021-11-11T21:26:00 test 0: 40_40-13C_40-13C.mnova addProperty Acquisition Date=2021-11-11T21:26:00 test 0: 40_40-13C_40-13C.mnova addProperty Modification Date=2021-11-11T21:26:47 test 0: 40_40-13C_40-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.694248477066 test 0: 40_40-13C_40-13C.mnova addProperty Spectrum Quality=0 test 0: 40_40-13C_40-13C.mnova addProperty Spectral Width=26315.7894736842 test 0: 40_40-13C_40-13C.mnova addProperty Lowest Frequency=-2044.67009336996 test 0: 40_40-13C_40-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 40_40-13C_40-13C.mnova addProperty Acquired Size=16384 test 0: 40_40-13C_40-13C.mnova addProperty Spectral Size=65536 test 0: 40_40-13C_40-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 40_40-13C_40-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 40_40-13C_40-13C.mnova addProperty mnovaVersion=14.1.1-24571 test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C32 H36 N4 O14 Rh2 test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2130 test 0: !Jmol 30 bonds read test 0: !Jmol CIF creating molecule for 88 atoms using GEOM_BOND records test 0: !Jmol reading 88 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 88 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C32 H36 N4 O14 Rh2 test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2130 test 0: !Jmol reading 98 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 98 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 0 ms test 0: Phase 2.1 checking zip directory: 2 40/40-1H/40-1H.zip|20/ test 0: Phase 2.1 checking zip directory: 8 40/40-1H/40-1H.zip|20/pdata/ test 0: Phase 2.1 checking zip directory: 9 40/40-1H/40-1H.zip|20/pdata/1/ test 0: !rezip pattern found 40/40-1H/40-1H.zip|20/ [IFDRepresentation type=null ref=[IFDReference Archive::40/40-1H/40-1H.zip|20/ :as::40_40-1H_40-1H.zip..20.zip]] test 0: 40_40-1H_40-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 40_40-1H_40-1H.mnova addProperty Title=Nov11-2021.20.fid test 0: 40_40-1H_40-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-158 test 0: 40_40-1H_40-1H.mnova addProperty Comment=TM-VI-158 test 0: 40_40-1H_40-1H.mnova addProperty Origin=Bruker test 0: 40_40-1H_40-1H.mnova addProperty Instrument=spect test 0: 40_40-1H_40-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CD2Cl2 test 0: 40_40-1H_40-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.2049 test 0: 40_40-1H_40-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 40_40-1H_40-1H.mnova addProperty Experiment=1D test 0: 40_40-1H_40-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 40_40-1H_40-1H.mnova addProperty Number of Scans=16 test 0: 40_40-1H_40-1H.mnova addProperty Receiver Gain=207.33 test 0: 40_40-1H_40-1H.mnova addProperty Relaxation Delay=1.0 test 0: 40_40-1H_40-1H.mnova addProperty Pulse Width=11.25 test 0: 40_40-1H_40-1H.mnova addProperty Acquisition Time=2.0447233 test 0: 40_40-1H_40-1H.mnova addProperty IFD.property.dataobject.timestamp=2021-11-11T10:30:00 test 0: 40_40-1H_40-1H.mnova addProperty Acquisition Date=2021-11-11T10:30:00 test 0: 40_40-1H_40-1H.mnova addProperty Modification Date=2021-11-11T10:30:53 test 0: 40_40-1H_40-1H.mnova addProperty Spectrum Quality=0 test 0: 40_40-1H_40-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41240246 test 0: 40_40-1H_40-1H.mnova addProperty Spectral Width=8012.82051282051 test 0: 40_40-1H_40-1H.mnova addProperty Lowest Frequency=-1621.36799876308 test 0: 40_40-1H_40-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 40_40-1H_40-1H.mnova addProperty Acquired Size=16384 test 0: 40_40-1H_40-1H.mnova addProperty Spectral Size=65536 test 0: 40_40-1H_40-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 40_40-1H_40-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 40_40-1H_40-1H.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 883 42/ test 0: Phase 2.1 checking zip directory: 884 42/42-X-ray/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: (42) ChemDraw can't interpret this label. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 43 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 43 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 0 ms test 0: Phase 2.1 checking zip directory: 889 42/42-IR/ test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C28 H34 Mn N4 O8 test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2207 test 0: !Jmol 48 bonds read test 0: !Jmol CIF creating molecule for 164 atoms using GEOM_BOND records test 0: !Jmol reading 82 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 82 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 2 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C28 H34 Mn N4 O8 test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2207 test 0: !Jmol reading 188 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 188 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 2 ms test 0: Phase 2.1 checking zip directory: 892 46/ test 0: Phase 2.1 checking zip directory: 894 46/46-X-ray/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: Tris((4-(ethoxycarbonyl)-1-phenyl-1H-pyrazol-5-yl)oxy)iron (46) ChemDraw can't interpret this label. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 52 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 52 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 15 ms test 0: Phase 2.1 checking zip directory: 897 46/46-IR/ test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C36 H33 Fe N6 O9 test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2210 test 0: !Jmol 62 bonds read test 0: !Jmol CIF creating molecule for 184 atoms using GEOM_BOND records test 0: !Jmol reading 92 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 92 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 16 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C36 H33 Fe N6 O9 test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2210 test 0: !Jmol reading 206 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 206 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 19 ms test 0: Phase 2.1 checking zip directory: 901 49/ test 0: Phase 2.1 checking zip directory: 902 49/49-hmbc/ test 0: Phase 2.1 checking zip directory: 905 49/49-hsqc/ test 0: Phase 2.1 checking zip directory: 907 49/49-1H/ test 0: Phase 2.1 checking zip directory: 908 49/49-13C/ test 0: Phase 2.1 checking zip directory: 909 49/49-IR/ test 0: Phase 2.1 checking zip directory: 911 49/49-X-ray/ test 0: Phase 2.1 checking zip directory: 912 49/49-cosy/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: N An atom in this label has an invalid valence. test 0: !Jmol Warning: N An atom in this label has an invalid valence. test 0: !Jmol Warning: N An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 26 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 26 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C28 H30 N4 O8 Zn test 0: !Jmol Setting space group name to 15 test 0: !Jmol Setting space group name to HM:C 2/c test 0: !Jmol Setting space group name to Hall:-C 2yc test 0: !Jmol AB2133b test 0: !Jmol 29 bonds read test 0: !Jmol CIF creating molecule for 344 atoms using GEOM_BOND records test 0: !Jmol reading 172 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 172 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 3 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C28 H30 N4 O8 Zn test 0: !Jmol Setting space group name to 15 test 0: !Jmol Setting space group name to HM:C 2/c test 0: !Jmol Setting space group name to Hall:-C 2yc test 0: !Jmol AB2133b test 0: !Jmol reading 380 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 380 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 5 ms test 0: 49_49-13C_49-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 49_49-13C_49-13C.mnova addProperty Title=Nov04-2021.23.fid test 0: 49_49-13C_49-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-146repeat solid dmso d6 13C test 0: 49_49-13C_49-13C.mnova addProperty Comment=TM-VI-146repeat solid dmso d6 13C test 0: 49_49-13C_49-13C.mnova addProperty Origin=Bruker test 0: 49_49-13C_49-13C.mnova addProperty Instrument=spect test 0: 49_49-13C_49-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=DMSO_weak test 0: 49_49-13C_49-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=293.5186 test 0: 49_49-13C_49-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 49_49-13C_49-13C.mnova addProperty Experiment=1D test 0: 49_49-13C_49-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 49_49-13C_49-13C.mnova addProperty Number of Scans=1200 test 0: 49_49-13C_49-13C.mnova addProperty Receiver Gain=199.33 test 0: 49_49-13C_49-13C.mnova addProperty Relaxation Delay=1.0 test 0: 49_49-13C_49-13C.mnova addProperty Pulse Width=10.8 test 0: 49_49-13C_49-13C.mnova addProperty Acquisition Time=0.5767168 test 0: 49_49-13C_49-13C.mnova addProperty IFD.property.dataobject.timestamp=2021-11-05T06:46:00 test 0: 49_49-13C_49-13C.mnova addProperty Acquisition Date=2021-11-05T06:46:00 test 0: 49_49-13C_49-13C.mnova addProperty Modification Date=2021-11-05T06:46:53 test 0: 49_49-13C_49-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.641439460712 test 0: 49_49-13C_49-13C.mnova addProperty Spectrum Quality=0 test 0: 49_49-13C_49-13C.mnova addProperty Spectral Width=28409.090909091 test 0: 49_49-13C_49-13C.mnova addProperty Lowest Frequency=-3180.06474033208 test 0: 49_49-13C_49-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 49_49-13C_49-13C.mnova addProperty Acquired Size=16384 test 0: 49_49-13C_49-13C.mnova addProperty Spectral Size=65536 test 0: 49_49-13C_49-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 49_49-13C_49-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 49_49-13C_49-13C.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 49/49-13C/49-13C.zip|23/ test 0: Phase 2.1 checking zip directory: 9 49/49-13C/49-13C.zip|23/pdata/ test 0: Phase 2.1 checking zip directory: 10 49/49-13C/49-13C.zip|23/pdata/1/ test 0: !rezip pattern found 49/49-13C/49-13C.zip|23/ [IFDRepresentation type=null ref=[IFDReference Archive::49/49-13C/49-13C.zip|23/ :as::49_49-13C_49-13C.zip..23.zip]] test 0: 49_49-1H_49-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 49_49-1H_49-1H.mnova addProperty Title=Nov04-2021.20.fid test 0: 49_49-1H_49-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-146repeat solid dmso d6 test 0: 49_49-1H_49-1H.mnova addProperty Comment=TM-VI-146repeat solid dmso d6 test 0: 49_49-1H_49-1H.mnova addProperty Origin=Bruker test 0: 49_49-1H_49-1H.mnova addProperty Instrument=spect test 0: 49_49-1H_49-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=DMSO_weak test 0: 49_49-1H_49-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=292.5938 test 0: 49_49-1H_49-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 49_49-1H_49-1H.mnova addProperty Experiment=1D test 0: 49_49-1H_49-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 49_49-1H_49-1H.mnova addProperty Number of Scans=16 test 0: 49_49-1H_49-1H.mnova addProperty Receiver Gain=199.33 test 0: 49_49-1H_49-1H.mnova addProperty Relaxation Delay=1.0 test 0: 49_49-1H_49-1H.mnova addProperty Pulse Width=10.0 test 0: 49_49-1H_49-1H.mnova addProperty Acquisition Time=2.0447233 test 0: 49_49-1H_49-1H.mnova addProperty IFD.property.dataobject.timestamp=2021-11-04T15:11:00 test 0: 49_49-1H_49-1H.mnova addProperty Acquisition Date=2021-11-04T15:11:00 test 0: 49_49-1H_49-1H.mnova addProperty Modification Date=2021-11-04T15:11:31 test 0: 49_49-1H_49-1H.mnova addProperty Spectrum Quality=0 test 0: 49_49-1H_49-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2024012 test 0: 49_49-1H_49-1H.mnova addProperty Spectral Width=8012.8205128205 test 0: 49_49-1H_49-1H.mnova addProperty Lowest Frequency=-1608.97212699714 test 0: 49_49-1H_49-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 49_49-1H_49-1H.mnova addProperty Acquired Size=16384 test 0: 49_49-1H_49-1H.mnova addProperty Spectral Size=65536 test 0: 49_49-1H_49-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 49_49-1H_49-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 49_49-1H_49-1H.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 49/49-1H/49-1H.zip|20/ test 0: Phase 2.1 checking zip directory: 8 49/49-1H/49-1H.zip|20/pdata/ test 0: Phase 2.1 checking zip directory: 9 49/49-1H/49-1H.zip|20/pdata/1/ test 0: !rezip pattern found 49/49-1H/49-1H.zip|20/ [IFDRepresentation type=null ref=[IFDReference Archive::49/49-1H/49-1H.zip|20/ :as::49_49-1H_49-1H.zip..20.zip]] test 0: 49_49-hsqc_49-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 49_49-hsqc_49-hsqc.mnova addProperty Title=Nov04-2021.22.ser test 0: 49_49-hsqc_49-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-146repeat solid dmso d6 hsqc test 0: 49_49-hsqc_49-hsqc.mnova addProperty Comment=TM-VI-146repeat solid dmso d6 hsqc test 0: 49_49-hsqc_49-hsqc.mnova addProperty Origin=Bruker test 0: 49_49-hsqc_49-hsqc.mnova addProperty Instrument=spect test 0: 49_49-hsqc_49-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=DMSO_weak test 0: 49_49-hsqc_49-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=293.1762 test 0: 49_49-hsqc_49-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hsqcetgpsi2.ph test 0: 49_49-hsqc_49-hsqc.mnova addProperty Experiment=HSQC test 0: 49_49-hsqc_49-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 49_49-hsqc_49-hsqc.mnova addProperty Number of Scans=2 test 0: 49_49-hsqc_49-hsqc.mnova addProperty Receiver Gain=199.33 test 0: 49_49-hsqc_49-hsqc.mnova addProperty Relaxation Delay=1.0 test 0: 49_49-hsqc_49-hsqc.mnova addProperty Pulse Width=10.0 test 0: 49_49-hsqc_49-hsqc.mnova addProperty Acquisition Time=0.1142784 test 0: 49_49-hsqc_49-hsqc.mnova addProperty IFD.property.dataobject.timestamp=2021-11-04T16:45:00 test 0: 49_49-hsqc_49-hsqc.mnova addProperty Acquisition Date=2021-11-04T16:45:00 test 0: 49_49-hsqc_49-hsqc.mnova addProperty Modification Date=2021-11-04T16:54:08 test 0: 49_49-hsqc_49-hsqc.mnova addProperty Spectrum Quality=0 test 0: 49_49-hsqc_49-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.641439460712 test 0: 49_49-hsqc_49-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.202001 test 0: 49_49-hsqc_49-hsqc.mnova addProperty Spectral Width=4480.28673835127 test 0: 49_49-hsqc_49-hsqc.mnova addProperty Lowest Frequency=-239.143369168609 test 0: 49_49-hsqc_49-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 49_49-hsqc_49-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 49_49-hsqc_49-hsqc.mnova addProperty Acquired Size=512 test 0: 49_49-hsqc_49-hsqc.mnova addProperty Spectral Size=512 test 0: 49_49-hsqc_49-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 49_49-hsqc_49-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 49_49-hsqc_49-hsqc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 49_49-hmbc_49-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 49_49-hmbc_49-hmbc.mnova addProperty Title=Nov04-2021.24.ser test 0: 49_49-hmbc_49-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-146repeat solid dmso d6 hmbc test 0: 49_49-hmbc_49-hmbc.mnova addProperty Comment=TM-VI-146repeat solid dmso d6 hmbc test 0: 49_49-hmbc_49-hmbc.mnova addProperty Origin=Bruker test 0: 49_49-hmbc_49-hmbc.mnova addProperty Instrument=spect test 0: 49_49-hmbc_49-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=DMSO_weak test 0: 49_49-hmbc_49-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=293.0647 test 0: 49_49-hmbc_49-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 49_49-hmbc_49-hmbc.mnova addProperty Experiment=HMBC test 0: 49_49-hmbc_49-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 49_49-hmbc_49-hmbc.mnova addProperty Number of Scans=8 test 0: 49_49-hmbc_49-hmbc.mnova addProperty Receiver Gain=199.33 test 0: 49_49-hmbc_49-hmbc.mnova addProperty Relaxation Delay=1.0 test 0: 49_49-hmbc_49-hmbc.mnova addProperty Pulse Width=10.0 test 0: 49_49-hmbc_49-hmbc.mnova addProperty Acquisition Time=0.08519680000000006 test 0: 49_49-hmbc_49-hmbc.mnova addProperty IFD.property.dataobject.timestamp=2021-11-05T06:48:03 test 0: 49_49-hmbc_49-hmbc.mnova addProperty Acquisition Date=2021-11-05T06:48:03 test 0: 49_49-hmbc_49-hmbc.mnova addProperty Modification Date=2021-11-05T07:07:43 test 0: 49_49-hmbc_49-hmbc.mnova addProperty Spectrum Quality=0 test 0: 49_49-hmbc_49-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.642445764415 test 0: 49_49-hmbc_49-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2028014 test 0: 49_49-hmbc_49-hmbc.mnova addProperty Spectral Width=6009.6153846154 test 0: 49_49-hmbc_49-hmbc.mnova addProperty Lowest Frequency=-203.407692297863 test 0: 49_49-hmbc_49-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 49_49-hmbc_49-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 49_49-hmbc_49-hmbc.mnova addProperty Acquired Size=512 test 0: 49_49-hmbc_49-hmbc.mnova addProperty Spectral Size=512 test 0: 49_49-hmbc_49-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 49_49-hmbc_49-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 49_49-hmbc_49-hmbc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 937 50/ test 0: Phase 2.1 checking zip directory: 938 50/50-IR/ test 0: Phase 2.1 checking zip directory: 939 50/50-1H/ test 0: Phase 2.1 checking zip directory: 940 50/50-cosy/ test 0: Phase 2.1 checking zip directory: 941 50/50-13C/ test 0: Phase 2.1 checking zip directory: 944 50/50-hsqc/ test 0: Phase 2.1 checking zip directory: 945 50/50-X-ray/ test 0: Phase 2.1 checking zip directory: 946 50/50-hmbc/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: (50) ChemDraw can't interpret this label. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 43 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 43 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: 50_50-hmbc_50-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 50_50-hmbc_50-hmbc.mnova addProperty Title=Nov02-2021.64.ser test 0: 50_50-hmbc_50-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-147 hmbc test 0: 50_50-hmbc_50-hmbc.mnova addProperty Comment=TM-VI-147 hmbc test 0: 50_50-hmbc_50-hmbc.mnova addProperty Origin=Bruker test 0: 50_50-hmbc_50-hmbc.mnova addProperty Instrument=spect test 0: 50_50-hmbc_50-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 50_50-hmbc_50-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=290.7964 test 0: 50_50-hmbc_50-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 50_50-hmbc_50-hmbc.mnova addProperty Experiment=HMBC test 0: 50_50-hmbc_50-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 50_50-hmbc_50-hmbc.mnova addProperty Number of Scans=8 test 0: 50_50-hmbc_50-hmbc.mnova addProperty Receiver Gain=199.33 test 0: 50_50-hmbc_50-hmbc.mnova addProperty Relaxation Delay=1.0 test 0: 50_50-hmbc_50-hmbc.mnova addProperty Pulse Width=10.0 test 0: 50_50-hmbc_50-hmbc.mnova addProperty Acquisition Time=0.08519680000000006 test 0: 50_50-hmbc_50-hmbc.mnova addProperty IFD.property.dataobject.timestamp=2021-11-04T01:36:13 test 0: 50_50-hmbc_50-hmbc.mnova addProperty Acquisition Date=2021-11-04T01:36:13 test 0: 50_50-hmbc_50-hmbc.mnova addProperty Modification Date=2021-11-04T01:55:53 test 0: 50_50-hmbc_50-hmbc.mnova addProperty Spectrum Quality=0 test 0: 50_50-hmbc_50-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.642445764415 test 0: 50_50-hmbc_50-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2028014 test 0: 50_50-hmbc_50-hmbc.mnova addProperty Spectral Width=6009.6153846154 test 0: 50_50-hmbc_50-hmbc.mnova addProperty Lowest Frequency=-203.407692297863 test 0: 50_50-hmbc_50-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 50_50-hmbc_50-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 50_50-hmbc_50-hmbc.mnova addProperty Acquired Size=512 test 0: 50_50-hmbc_50-hmbc.mnova addProperty Spectral Size=512 test 0: 50_50-hmbc_50-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 50_50-hmbc_50-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 50_50-hmbc_50-hmbc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C28 H34 N4 O8 Zn test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2128 test 0: !Jmol 48 bonds read test 0: !Jmol CIF creating molecule for 164 atoms using GEOM_BOND records test 0: !Jmol reading 82 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 82 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 3 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C28 H34 N4 O8 Zn test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2128 test 0: !Jmol reading 188 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 188 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 3 ms test 0: 50_50-hsqc_50-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 50_50-hsqc_50-hsqc.mnova addProperty Title=Nov02-2021.62.ser test 0: 50_50-hsqc_50-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-147 hsqc test 0: 50_50-hsqc_50-hsqc.mnova addProperty Comment=TM-VI-147 hsqc test 0: 50_50-hsqc_50-hsqc.mnova addProperty Origin=Bruker test 0: 50_50-hsqc_50-hsqc.mnova addProperty Instrument=spect test 0: 50_50-hsqc_50-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 50_50-hsqc_50-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=291.4497 test 0: 50_50-hsqc_50-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hsqcetgpsi2.ph test 0: 50_50-hsqc_50-hsqc.mnova addProperty Experiment=HSQC test 0: 50_50-hsqc_50-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 50_50-hsqc_50-hsqc.mnova addProperty Number of Scans=2 test 0: 50_50-hsqc_50-hsqc.mnova addProperty Receiver Gain=199.33 test 0: 50_50-hsqc_50-hsqc.mnova addProperty Relaxation Delay=1.0 test 0: 50_50-hsqc_50-hsqc.mnova addProperty Pulse Width=10.0 test 0: 50_50-hsqc_50-hsqc.mnova addProperty Acquisition Time=0.1142784 test 0: 50_50-hsqc_50-hsqc.mnova addProperty IFD.property.dataobject.timestamp=2021-11-02T17:42:00 test 0: 50_50-hsqc_50-hsqc.mnova addProperty Acquisition Date=2021-11-02T17:42:00 test 0: 50_50-hsqc_50-hsqc.mnova addProperty Modification Date=2021-11-02T17:51:12 test 0: 50_50-hsqc_50-hsqc.mnova addProperty Spectrum Quality=0 test 0: 50_50-hsqc_50-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.641439460712 test 0: 50_50-hsqc_50-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.202001 test 0: 50_50-hsqc_50-hsqc.mnova addProperty Spectral Width=4480.28673835127 test 0: 50_50-hsqc_50-hsqc.mnova addProperty Lowest Frequency=-239.143369168609 test 0: 50_50-hsqc_50-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 50_50-hsqc_50-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 50_50-hsqc_50-hsqc.mnova addProperty Acquired Size=512 test 0: 50_50-hsqc_50-hsqc.mnova addProperty Spectral Size=512 test 0: 50_50-hsqc_50-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 50_50-hsqc_50-hsqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 50_50-hsqc_50-hsqc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 50_50-13C_50-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 50_50-13C_50-13C.mnova addProperty Title=Nov02-2021.63.fid test 0: 50_50-13C_50-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-147 13C test 0: 50_50-13C_50-13C.mnova addProperty Comment=TM-VI-147 13C test 0: 50_50-13C_50-13C.mnova addProperty Origin=Bruker test 0: 50_50-13C_50-13C.mnova addProperty Instrument=spect test 0: 50_50-13C_50-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 50_50-13C_50-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=291.0844 test 0: 50_50-13C_50-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 50_50-13C_50-13C.mnova addProperty Experiment=1D test 0: 50_50-13C_50-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 50_50-13C_50-13C.mnova addProperty Number of Scans=1200 test 0: 50_50-13C_50-13C.mnova addProperty Receiver Gain=199.33 test 0: 50_50-13C_50-13C.mnova addProperty Relaxation Delay=1.0 test 0: 50_50-13C_50-13C.mnova addProperty Pulse Width=10.8 test 0: 50_50-13C_50-13C.mnova addProperty Acquisition Time=0.5767168 test 0: 50_50-13C_50-13C.mnova addProperty IFD.property.dataobject.timestamp=2021-11-04T01:35:00 test 0: 50_50-13C_50-13C.mnova addProperty Acquisition Date=2021-11-04T01:35:00 test 0: 50_50-13C_50-13C.mnova addProperty Modification Date=2021-11-04T01:35:37 test 0: 50_50-13C_50-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.641439460712 test 0: 50_50-13C_50-13C.mnova addProperty Spectrum Quality=0 test 0: 50_50-13C_50-13C.mnova addProperty Spectral Width=28409.090909091 test 0: 50_50-13C_50-13C.mnova addProperty Lowest Frequency=-3124.09675398079 test 0: 50_50-13C_50-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 50_50-13C_50-13C.mnova addProperty Acquired Size=16384 test 0: 50_50-13C_50-13C.mnova addProperty Spectral Size=65536 test 0: 50_50-13C_50-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 50_50-13C_50-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 50_50-13C_50-13C.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 50/50-13C/50-13C.zip|63/ test 0: Phase 2.1 checking zip directory: 9 50/50-13C/50-13C.zip|63/pdata/ test 0: Phase 2.1 checking zip directory: 10 50/50-13C/50-13C.zip|63/pdata/1/ test 0: !rezip pattern found 50/50-13C/50-13C.zip|63/ [IFDRepresentation type=null ref=[IFDReference Archive::50/50-13C/50-13C.zip|63/ :as::50_50-13C_50-13C.zip..63.zip]] test 0: Phase 2.1 checking zip directory: 2 50/50-1H/50-1H.zip|60/ test 0: Phase 2.1 checking zip directory: 8 50/50-1H/50-1H.zip|60/pdata/ test 0: Phase 2.1 checking zip directory: 9 50/50-1H/50-1H.zip|60/pdata/1/ test 0: !rezip pattern found 50/50-1H/50-1H.zip|60/ [IFDRepresentation type=null ref=[IFDReference Archive::50/50-1H/50-1H.zip|60/ :as::50_50-1H_50-1H.zip..60.zip]] test 0: 50_50-1H_50-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 50_50-1H_50-1H.mnova addProperty Title=Nov02-2021.60.fid test 0: 50_50-1H_50-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-147 test 0: 50_50-1H_50-1H.mnova addProperty Comment=TM-VI-147 test 0: 50_50-1H_50-1H.mnova addProperty Origin=Bruker test 0: 50_50-1H_50-1H.mnova addProperty Instrument=spect test 0: 50_50-1H_50-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 50_50-1H_50-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=291.2826 test 0: 50_50-1H_50-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 50_50-1H_50-1H.mnova addProperty Experiment=1D test 0: 50_50-1H_50-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 50_50-1H_50-1H.mnova addProperty Number of Scans=16 test 0: 50_50-1H_50-1H.mnova addProperty Receiver Gain=199.33 test 0: 50_50-1H_50-1H.mnova addProperty Relaxation Delay=1.0 test 0: 50_50-1H_50-1H.mnova addProperty Pulse Width=10.0 test 0: 50_50-1H_50-1H.mnova addProperty Acquisition Time=2.0447233 test 0: 50_50-1H_50-1H.mnova addProperty IFD.property.dataobject.timestamp=2021-11-02T17:18:00 test 0: 50_50-1H_50-1H.mnova addProperty Acquisition Date=2021-11-02T17:18:00 test 0: 50_50-1H_50-1H.mnova addProperty Modification Date=2021-11-02T17:18:34 test 0: 50_50-1H_50-1H.mnova addProperty Spectrum Quality=0 test 0: 50_50-1H_50-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2024012 test 0: 50_50-1H_50-1H.mnova addProperty Spectral Width=8012.8205128205 test 0: 50_50-1H_50-1H.mnova addProperty Lowest Frequency=-1615.33524289442 test 0: 50_50-1H_50-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 50_50-1H_50-1H.mnova addProperty Acquired Size=16384 test 0: 50_50-1H_50-1H.mnova addProperty Spectral Size=65536 test 0: 50_50-1H_50-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 50_50-1H_50-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 50_50-1H_50-1H.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 972 53/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 49 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 49 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: Phase 2.1 checking zip directory: 976 53/53-IR/ test 0: Phase 2.1 checking zip directory: 977 53/53-X-ray/ test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C38 H40 Cu N6 O8 test 0: !Jmol Setting space group name to 14 test 0: !Jmol Setting space group name to HM:P 21/n test 0: !Jmol Setting space group name to Hall:-P 2yn test 0: !Jmol AB2208 test 0: !Jmol 60 bonds read test 0: !Jmol CIF creating molecule for 372 atoms using GEOM_BOND records test 0: !Jmol reading 186 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 1ABC test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 186 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 7 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C38 H40 Cu N6 O8 test 0: !Jmol Setting space group name to 14 test 0: !Jmol Setting space group name to HM:P 21/n test 0: !Jmol Setting space group name to Hall:-P 2yn test 0: !Jmol AB2208 test 0: !Jmol reading 432 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 1ABCD test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 432 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 4 ms test 0: Phase 2.1 checking zip directory: 981 54/ test 0: Phase 2.1 checking zip directory: 983 54/54-IR/ test 0: Phase 2.1 checking zip directory: 985 54/54-X-ray/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: N An atom in this label has an invalid valence. test 0: !Jmol Warning: N An atom in this label has an invalid valence. test 0: !Jmol Warning: N An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 23 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 23 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C24 H22 Cu N4 O6 test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2153 test 0: !Jmol 48 bonds read test 0: !Jmol CIF creating molecule for 116 atoms using GEOM_BOND records test 0: !Jmol reading 116 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 116 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C24 H22 Cu N4 O6 test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2153 test 0: !Jmol reading 130 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 130 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 2 ms test 0: Phase 2.1 checking zip directory: 990 55/ test 0: Phase 2.1 checking zip directory: 991 55/55-IR/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: (55) ChemDraw can't interpret this label. test 0: !Jmol Warning: N An atom in this label has an invalid valence. test 0: !Jmol Warning: N An atom in this label has an invalid valence. test 0: !Jmol Warning: N An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 29 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 29 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: Phase 2.1 checking zip directory: 995 55/55-X-ray/ test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C36 H30 Cu N4 O6 test 0: !Jmol Setting space group name to 29 test 0: !Jmol Setting space group name to HM:P c a 21 test 0: !Jmol Setting space group name to Hall:P 2c -2ac test 0: !Jmol AB2246 test 0: !Jmol 56 bonds read test 0: !Jmol CIF creating molecule for 308 atoms using GEOM_BOND records test 0: !Jmol reading 154 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 154 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C36 H30 Cu N4 O6 test 0: !Jmol Setting space group name to 29 test 0: !Jmol Setting space group name to HM:P c a 21 test 0: !Jmol Setting space group name to Hall:P 2c -2ac test 0: !Jmol AB2246 test 0: !Jmol reading 341 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 341 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 3 ms test 0: Phase 2.1 checking zip directory: 999 56/ test 0: Phase 2.1 checking zip directory: 1002 56/56-X-ray/ test 0: Phase 2.1 checking zip directory: 1004 56/56-IR/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 31 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 31 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 0 ms test 0: Phase 2.1 checking zip directory: 1006 56/56-comp/ test 0: Phase 2.1 checking zip directory: 1007 56/56-comp/10292/ test 0: Phase 2.1 checking zip directory: 1008 56/56-comp/10323/ test 0: Phase 2.1 checking zip directory: 1009 56/56-comp/10311/ test 0: !Jmol The Resolver thinks XmlCml test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol AB2226-3-12.log test 0: !Jmol reading 59 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 59 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 2 ms test 0: !Jmol The Resolver thinks XmlCml test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol AB2226-3-14-4.log test 0: !Jmol reading 59 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 59 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: !Jmol The Resolver thinks XmlCml test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol AB2226-3.log test 0: !Jmol reading 59 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 59 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C22 H24 Cu N6 O6 test 0: !Jmol Setting space group name to 14 test 0: !Jmol Setting space group name to HM:P 21/n test 0: !Jmol Setting space group name to Hall:-P 2yn test 0: !Jmol AB2226 test 0: !Jmol 23 bonds read test 0: !Jmol CIF creating molecule for 120 atoms using GEOM_BOND records test 0: !Jmol reading 59 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 59 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 2 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C22 H24 Cu N6 O6 test 0: !Jmol Setting space group name to 14 test 0: !Jmol Setting space group name to HM:P 21/n test 0: !Jmol Setting space group name to Hall:-P 2yn test 0: !Jmol AB2226 test 0: !Jmol reading 132 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 132 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 0 ms test 0: Phase 2.1 checking zip directory: 1024 57/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 49 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 49 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 0 ms test 0: Phase 2.1 checking zip directory: 1029 57/57-x-ray/ test 0: Phase 2.1 checking zip directory: 1030 57/57-IR/ test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C38 H40 N6 Ni O8 test 0: !Jmol Setting space group name to 14 test 0: !Jmol Setting space group name to HM:P 21/n test 0: !Jmol Setting space group name to Hall:-P 2yn test 0: !Jmol AB2212 test 0: !Jmol 60 bonds read test 0: !Jmol CIF creating molecule for 372 atoms using GEOM_BOND records test 0: !Jmol reading 186 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 1ABC test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 186 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C38 H40 N6 Ni O8 test 0: !Jmol Setting space group name to 14 test 0: !Jmol Setting space group name to HM:P 21/n test 0: !Jmol Setting space group name to Hall:-P 2yn test 0: !Jmol AB2212 test 0: !Jmol reading 429 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 1ABCD test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 429 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 6 ms test 0: Phase 2.1 checking zip directory: 1033 58/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 43 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 43 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: Phase 2.1 checking zip directory: 1037 58/58-X-ray/ test 0: Phase 2.1 checking zip directory: 1038 58/58-IR/ test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C34 H32 N6 Ni O6 test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2237 test 0: !Jmol 56 bonds read test 0: !Jmol CIF creating molecule for 172 atoms using GEOM_BOND records test 0: !Jmol reading 86 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 86 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 3 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C34 H32 N6 Ni O6 test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2237 test 0: !Jmol reading 188 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 188 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 1 ms test 0: Phase 2.1 checking zip directory: 1042 60/ test 0: Phase 2.1 checking zip directory: 1043 60/60-X-ray/ test 0: Phase 2.1 checking zip directory: 1044 60/60-IR/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 31 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 31 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C22 H24 N6 Ni O6 test 0: !Jmol Setting space group name to 14 test 0: !Jmol Setting space group name to HM:P 21/c test 0: !Jmol Setting space group name to Hall:-P 2ybc test 0: !Jmol AB2241 test 0: !Jmol 40 bonds read test 0: !Jmol CIF creating molecule for 236 atoms using GEOM_BOND records test 0: !Jmol reading 59 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 59 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C22 H24 N6 Ni O6 test 0: !Jmol Setting space group name to 14 test 0: !Jmol Setting space group name to HM:P 21/c test 0: !Jmol Setting space group name to Hall:-P 2ybc test 0: !Jmol AB2241 test 0: !Jmol reading 266 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 266 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 2 ms test 0: Phase 2.1 checking zip directory: 1051 61/ test 0: Phase 2.1 checking zip directory: 1052 61/61-1H/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 82 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 82 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 0 ms test 0: Phase 2.1 checking zip directory: 1055 61/61-IR/ test 0: Phase 2.1 checking zip directory: 1056 61/61-cosy/ test 0: Phase 2.1 checking zip directory: 1057 61/61-X-Ray/ test 0: Phase 2.1 checking zip directory: 1058 61/61-hmqc/ test 0: Phase 2.1 checking zip directory: 1060 61/61-hmbc/ test 0: Phase 2.1 checking zip directory: 1061 61/61-13C/ test 0: Phase 2.1 checking zip directory: 2 61/61-13C/61-13C.zip|23/ test 0: Phase 2.1 checking zip directory: 9 61/61-13C/61-13C.zip|23/pdata/ test 0: Phase 2.1 checking zip directory: 10 61/61-13C/61-13C.zip|23/pdata/1/ test 0: !rezip pattern found 61/61-13C/61-13C.zip|23/ [IFDRepresentation type=null ref=[IFDReference Archive::61/61-13C/61-13C.zip|23/ :as::61_61-13C_61-13C.zip..23.zip]] test 0: 61_61-13C_61-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 61_61-13C_61-13C.mnova addProperty Title=Dec04-2021.23.fid test 0: 61_61-13C_61-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-191, CD3OD 13C test 0: 61_61-13C_61-13C.mnova addProperty Comment=TM-VI-191, CD3OD 13C test 0: 61_61-13C_61-13C.mnova addProperty Origin=Bruker test 0: 61_61-13C_61-13C.mnova addProperty Instrument=spect test 0: 61_61-13C_61-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 61_61-13C_61-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.7416 test 0: 61_61-13C_61-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 61_61-13C_61-13C.mnova addProperty Experiment=1D test 0: 61_61-13C_61-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 61_61-13C_61-13C.mnova addProperty Number of Scans=1200 test 0: 61_61-13C_61-13C.mnova addProperty Receiver Gain=199.76 test 0: 61_61-13C_61-13C.mnova addProperty Relaxation Delay=1.0 test 0: 61_61-13C_61-13C.mnova addProperty Pulse Width=9.8 test 0: 61_61-13C_61-13C.mnova addProperty Acquisition Time=0.5767168 test 0: 61_61-13C_61-13C.mnova addProperty IFD.property.dataobject.timestamp=2021-12-04T17:11:00 test 0: 61_61-13C_61-13C.mnova addProperty Acquisition Date=2021-12-04T17:11:00 test 0: 61_61-13C_61-13C.mnova addProperty Modification Date=2021-12-04T17:11:08 test 0: 61_61-13C_61-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.671616787854 test 0: 61_61-13C_61-13C.mnova addProperty Spectrum Quality=0 test 0: 61_61-13C_61-13C.mnova addProperty Spectral Width=28409.090909091 test 0: 61_61-13C_61-13C.mnova addProperty Lowest Frequency=-2992.23885692084 test 0: 61_61-13C_61-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 61_61-13C_61-13C.mnova addProperty Acquired Size=16384 test 0: 61_61-13C_61-13C.mnova addProperty Spectral Size=65536 test 0: 61_61-13C_61-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 61_61-13C_61-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 61_61-13C_61-13C.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 61/61-hmbc/61-hmbc.zip|25/ test 0: Phase 2.1 checking zip directory: 10 61/61-hmbc/61-hmbc.zip|25/pdata/ test 0: Phase 2.1 checking zip directory: 11 61/61-hmbc/61-hmbc.zip|25/pdata/1/ test 0: !rezip pattern found 61/61-hmbc/61-hmbc.zip|25/ [IFDRepresentation type=null ref=[IFDReference Archive::61/61-hmbc/61-hmbc.zip|25/ :as::61_61-hmbc_61-hmbc.zip..25.zip]] test 0: 61_61-hmbc_61-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 61_61-hmbc_61-hmbc.mnova addProperty Title=Dec04-2021.25.ser test 0: 61_61-hmbc_61-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-191, CD3OD hmbc test 0: 61_61-hmbc_61-hmbc.mnova addProperty Comment=TM-VI-191, CD3OD hmbc test 0: 61_61-hmbc_61-hmbc.mnova addProperty Origin=Bruker test 0: 61_61-hmbc_61-hmbc.mnova addProperty Instrument=spect test 0: 61_61-hmbc_61-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 61_61-hmbc_61-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.9623 test 0: 61_61-hmbc_61-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 61_61-hmbc_61-hmbc.mnova addProperty Experiment=HMBC test 0: 61_61-hmbc_61-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 61_61-hmbc_61-hmbc.mnova addProperty Number of Scans=8 test 0: 61_61-hmbc_61-hmbc.mnova addProperty Receiver Gain=199.76 test 0: 61_61-hmbc_61-hmbc.mnova addProperty Relaxation Delay=1.0 test 0: 61_61-hmbc_61-hmbc.mnova addProperty Pulse Width=11.0 test 0: 61_61-hmbc_61-hmbc.mnova addProperty Acquisition Time=0.08519680000000006 test 0: 61_61-hmbc_61-hmbc.mnova addProperty IFD.property.dataobject.timestamp=2021-12-04T17:25:51 test 0: 61_61-hmbc_61-hmbc.mnova addProperty Acquisition Date=2021-12-04T17:25:51 test 0: 61_61-hmbc_61-hmbc.mnova addProperty Modification Date=2021-12-04T17:45:31 test 0: 61_61-hmbc_61-hmbc.mnova addProperty Spectrum Quality=0 test 0: 61_61-hmbc_61-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.672623393296 test 0: 61_61-hmbc_61-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.32280224 test 0: 61_61-hmbc_61-hmbc.mnova addProperty Spectral Width=6009.61538461538 test 0: 61_61-hmbc_61-hmbc.mnova addProperty Lowest Frequency=-202.56769231362 test 0: 61_61-hmbc_61-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 61_61-hmbc_61-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 61_61-hmbc_61-hmbc.mnova addProperty Acquired Size=512 test 0: 61_61-hmbc_61-hmbc.mnova addProperty Spectral Size=512 test 0: 61_61-hmbc_61-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 61_61-hmbc_61-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 61_61-hmbc_61-hmbc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 61_61-hmqc_61-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 61_61-hmqc_61-hmqc.mnova addProperty Title=Dec04-2021.24.ser test 0: 61_61-hmqc_61-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-191, CD3OD hmqc test 0: 61_61-hmqc_61-hmqc.mnova addProperty Comment=TM-VI-191, CD3OD hmqc test 0: 61_61-hmqc_61-hmqc.mnova addProperty Origin=Bruker test 0: 61_61-hmqc_61-hmqc.mnova addProperty Instrument=spect test 0: 61_61-hmqc_61-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 61_61-hmqc_61-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.3782 test 0: 61_61-hmqc_61-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmqcgpqf test 0: 61_61-hmqc_61-hmqc.mnova addProperty Experiment=HMQC test 0: 61_61-hmqc_61-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 61_61-hmqc_61-hmqc.mnova addProperty Number of Scans=4 test 0: 61_61-hmqc_61-hmqc.mnova addProperty Receiver Gain=199.76 test 0: 61_61-hmqc_61-hmqc.mnova addProperty Relaxation Delay=1.3 test 0: 61_61-hmqc_61-hmqc.mnova addProperty Pulse Width=11.0 test 0: 61_61-hmqc_61-hmqc.mnova addProperty Acquisition Time=0.10649599999999994 test 0: 61_61-hmqc_61-hmqc.mnova addProperty IFD.property.dataobject.timestamp=2021-12-04T17:12:30 test 0: 61_61-hmqc_61-hmqc.mnova addProperty Acquisition Date=2021-12-04T17:12:30 test 0: 61_61-hmqc_61-hmqc.mnova addProperty Modification Date=2021-12-04T17:24:37 test 0: 61_61-hmqc_61-hmqc.mnova addProperty Spectrum Quality=0 test 0: 61_61-hmqc_61-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.66910027425 test 0: 61_61-hmqc_61-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.3220016 test 0: 61_61-hmqc_61-hmqc.mnova addProperty Spectral Width=4807.69230769229 test 0: 61_61-hmqc_61-hmqc.mnova addProperty Lowest Frequency=-402.2461538179 test 0: 61_61-hmqc_61-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 61_61-hmqc_61-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 61_61-hmqc_61-hmqc.mnova addProperty Acquired Size=512 test 0: 61_61-hmqc_61-hmqc.mnova addProperty Spectral Size=512 test 0: 61_61-hmqc_61-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 61_61-hmqc_61-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 61_61-hmqc_61-hmqc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 61/61-hmqc/61-hmqc.zip|24/ test 0: Phase 2.1 checking zip directory: 11 61/61-hmqc/61-hmqc.zip|24/pdata/ test 0: Phase 2.1 checking zip directory: 12 61/61-hmqc/61-hmqc.zip|24/pdata/1/ test 0: !rezip pattern found 61/61-hmqc/61-hmqc.zip|24/ [IFDRepresentation type=null ref=[IFDReference Archive::61/61-hmqc/61-hmqc.zip|24/ :as::61_61-hmqc_61-hmqc.zip..24.zip]] test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C57.25 H57 La N8 Na O17.25 test 0: !Jmol Setting space group name to 118 test 0: !Jmol Setting space group name to HM:P -4 n 2 test 0: !Jmol Setting space group name to Hall:P -4 -2n test 0: !Jmol AB2223 test 0: !Jmol error reading uncertainty for 1.3900 on line C7 C8 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C7 C12 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C8 C9 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C9 C10 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C10 C11 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C11 C12 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C7' C8' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C7' C12' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C8' C9' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C9' C10' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C10' C11' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C11' C12' 1.3900 . ? test 0: !Jmol 51 bonds read test 0: !Jmol CIF creating molecule for 474 atoms using GEOM_BOND records test 0: !Jmol reading 237 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 237 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 2 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C57.25 H57 La N8 Na O17.25 test 0: !Jmol Setting space group name to 118 test 0: !Jmol Setting space group name to HM:P -4 n 2 test 0: !Jmol Setting space group name to Hall:P -4 -2n test 0: !Jmol AB2223 test 0: !Jmol reading 510 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 510 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 6 ms test 0: 61_61-cosy_61-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 61_61-cosy_61-cosy.mnova addProperty Title=Dec04-2021.22.ser test 0: 61_61-cosy_61-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-191, CD3OD cosy test 0: 61_61-cosy_61-cosy.mnova addProperty Comment=TM-VI-191, CD3OD cosy test 0: 61_61-cosy_61-cosy.mnova addProperty Origin=Bruker test 0: 61_61-cosy_61-cosy.mnova addProperty Instrument=spect test 0: 61_61-cosy_61-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 61_61-cosy_61-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.6888 test 0: 61_61-cosy_61-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=cosygpqf test 0: 61_61-cosy_61-cosy.mnova addProperty Experiment=COSY test 0: 61_61-cosy_61-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 61_61-cosy_61-cosy.mnova addProperty Number of Scans=4 test 0: 61_61-cosy_61-cosy.mnova addProperty Receiver Gain=199.76 test 0: 61_61-cosy_61-cosy.mnova addProperty Relaxation Delay=1.0 test 0: 61_61-cosy_61-cosy.mnova addProperty Pulse Width=11.0 test 0: 61_61-cosy_61-cosy.mnova addProperty Acquisition Time=0.10649599999999994 test 0: 61_61-cosy_61-cosy.mnova addProperty IFD.property.dataobject.timestamp=2021-12-04T16:28:28 test 0: 61_61-cosy_61-cosy.mnova addProperty Acquisition Date=2021-12-04T16:28:28 test 0: 61_61-cosy_61-cosy.mnova addProperty Modification Date=2021-12-04T16:38:04 test 0: 61_61-cosy_61-cosy.mnova addProperty Spectrum Quality=0 test 0: 61_61-cosy_61-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.3220016 test 0: 61_61-cosy_61-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.3220016 test 0: 61_61-cosy_61-cosy.mnova addProperty Spectral Width=4807.69230769229 test 0: 61_61-cosy_61-cosy.mnova addProperty Lowest Frequency=-402.2461538179 test 0: 61_61-cosy_61-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 61_61-cosy_61-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 61_61-cosy_61-cosy.mnova addProperty Acquired Size=512 test 0: 61_61-cosy_61-cosy.mnova addProperty Spectral Size=512 test 0: 61_61-cosy_61-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 61_61-cosy_61-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 61_61-cosy_61-cosy.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 61/61-cosy/61-cosy.zip|22/ test 0: Phase 2.1 checking zip directory: 10 61/61-cosy/61-cosy.zip|22/pdata/ test 0: Phase 2.1 checking zip directory: 11 61/61-cosy/61-cosy.zip|22/pdata/1/ test 0: !rezip pattern found 61/61-cosy/61-cosy.zip|22/ [IFDRepresentation type=null ref=[IFDReference Archive::61/61-cosy/61-cosy.zip|22/ :as::61_61-cosy_61-cosy.zip..22.zip]] test 0: 61_61-1H_61-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 61_61-1H_61-1H.mnova addProperty Title=Dec04-2021.20.fid test 0: 61_61-1H_61-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-191, CD3OD test 0: 61_61-1H_61-1H.mnova addProperty Comment=TM-VI-191, CD3OD test 0: 61_61-1H_61-1H.mnova addProperty Origin=Bruker test 0: 61_61-1H_61-1H.mnova addProperty Instrument=spect test 0: 61_61-1H_61-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 61_61-1H_61-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.6902 test 0: 61_61-1H_61-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 61_61-1H_61-1H.mnova addProperty Experiment=1D test 0: 61_61-1H_61-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 61_61-1H_61-1H.mnova addProperty Number of Scans=16 test 0: 61_61-1H_61-1H.mnova addProperty Receiver Gain=178.62 test 0: 61_61-1H_61-1H.mnova addProperty Relaxation Delay=1.0 test 0: 61_61-1H_61-1H.mnova addProperty Pulse Width=11.0 test 0: 61_61-1H_61-1H.mnova addProperty Acquisition Time=2.0447233 test 0: 61_61-1H_61-1H.mnova addProperty IFD.property.dataobject.timestamp=2021-12-04T16:18:00 test 0: 61_61-1H_61-1H.mnova addProperty Acquisition Date=2021-12-04T16:18:00 test 0: 61_61-1H_61-1H.mnova addProperty Modification Date=2021-12-04T16:18:22 test 0: 61_61-1H_61-1H.mnova addProperty Spectrum Quality=0 test 0: 61_61-1H_61-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.32240192 test 0: 61_61-1H_61-1H.mnova addProperty Spectral Width=8012.82051282051 test 0: 61_61-1H_61-1H.mnova addProperty Lowest Frequency=-1612.05627935555 test 0: 61_61-1H_61-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 61_61-1H_61-1H.mnova addProperty Acquired Size=16384 test 0: 61_61-1H_61-1H.mnova addProperty Spectral Size=65536 test 0: 61_61-1H_61-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 61_61-1H_61-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 61_61-1H_61-1H.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 61/61-1H/61-1H.zip|20/ test 0: Phase 2.1 checking zip directory: 9 61/61-1H/61-1H.zip|20/pdata/ test 0: Phase 2.1 checking zip directory: 10 61/61-1H/61-1H.zip|20/pdata/1/ test 0: !rezip pattern found 61/61-1H/61-1H.zip|20/ [IFDRepresentation type=null ref=[IFDReference Archive::61/61-1H/61-1H.zip|20/ :as::61_61-1H_61-1H.zip..20.zip]] test 0: Phase 2.1 checking zip directory: 1086 62/ test 0: Phase 2.1 checking zip directory: 1089 62/62-X-Ray/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: OH2 An atom in this label has an invalid valence. test 0: !Jmol Warning: OH2 An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 54 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 54 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: Phase 2.1 checking zip directory: 1091 62/62-hmbc/ test 0: Phase 2.1 checking zip directory: 1092 62/62-13C/ test 0: Phase 2.1 checking zip directory: 1094 62/62-cosy/ test 0: Phase 2.1 checking zip directory: 1095 62/62-hmqc/ test 0: Phase 2.1 checking zip directory: 1096 62/62-IR/ test 0: Phase 2.1 checking zip directory: 1098 62/62-1H/ test 0: Phase 2.1 checking zip directory: 2 62/62-1H/62-1H.zip|20/ test 0: Phase 2.1 checking zip directory: 9 62/62-1H/62-1H.zip|20/pdata/ test 0: Phase 2.1 checking zip directory: 10 62/62-1H/62-1H.zip|20/pdata/1/ test 0: !rezip pattern found 62/62-1H/62-1H.zip|20/ [IFDRepresentation type=null ref=[IFDReference Archive::62/62-1H/62-1H.zip|20/ :as::62_62-1H_62-1H.zip..20.zip]] test 0: 62_62-1H_62-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 62_62-1H_62-1H.mnova addProperty Title=Dec04-2021.20.fid test 0: 62_62-1H_62-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-199, CD3OD test 0: 62_62-1H_62-1H.mnova addProperty Comment=TM-VI-199, CD3OD test 0: 62_62-1H_62-1H.mnova addProperty Origin=Bruker test 0: 62_62-1H_62-1H.mnova addProperty Instrument=spect test 0: 62_62-1H_62-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 62_62-1H_62-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.102 test 0: 62_62-1H_62-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 62_62-1H_62-1H.mnova addProperty Experiment=1D test 0: 62_62-1H_62-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 62_62-1H_62-1H.mnova addProperty Number of Scans=16 test 0: 62_62-1H_62-1H.mnova addProperty Receiver Gain=207.33 test 0: 62_62-1H_62-1H.mnova addProperty Relaxation Delay=1.0 test 0: 62_62-1H_62-1H.mnova addProperty Pulse Width=11.25 test 0: 62_62-1H_62-1H.mnova addProperty Acquisition Time=2.0447233 test 0: 62_62-1H_62-1H.mnova addProperty IFD.property.dataobject.timestamp=2021-12-04T15:34:00 test 0: 62_62-1H_62-1H.mnova addProperty Acquisition Date=2021-12-04T15:34:00 test 0: 62_62-1H_62-1H.mnova addProperty Modification Date=2021-12-04T15:34:49 test 0: 62_62-1H_62-1H.mnova addProperty Spectrum Quality=0 test 0: 62_62-1H_62-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41240246 test 0: 62_62-1H_62-1H.mnova addProperty Spectral Width=8012.82051282051 test 0: 62_62-1H_62-1H.mnova addProperty Lowest Frequency=-1613.80030982179 test 0: 62_62-1H_62-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 62_62-1H_62-1H.mnova addProperty Acquired Size=16384 test 0: 62_62-1H_62-1H.mnova addProperty Spectral Size=65536 test 0: 62_62-1H_62-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 62_62-1H_62-1H.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 62_62-1H_62-1H.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 62_62-hmqc_62-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 62_62-hmqc_62-hmqc.mnova addProperty Title=Dec04-2021.24.ser test 0: 62_62-hmqc_62-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-199, CD3OD hmqc test 0: 62_62-hmqc_62-hmqc.mnova addProperty Comment=TM-VI-199, CD3OD hmqc test 0: 62_62-hmqc_62-hmqc.mnova addProperty Origin=Bruker test 0: 62_62-hmqc_62-hmqc.mnova addProperty Instrument=spect test 0: 62_62-hmqc_62-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 62_62-hmqc_62-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.2642 test 0: 62_62-hmqc_62-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmqcgpqf test 0: 62_62-hmqc_62-hmqc.mnova addProperty Experiment=HMQC test 0: 62_62-hmqc_62-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 62_62-hmqc_62-hmqc.mnova addProperty Number of Scans=4 test 0: 62_62-hmqc_62-hmqc.mnova addProperty Receiver Gain=207.33 test 0: 62_62-hmqc_62-hmqc.mnova addProperty Relaxation Delay=1.0 test 0: 62_62-hmqc_62-hmqc.mnova addProperty Pulse Width=11.25 test 0: 62_62-hmqc_62-hmqc.mnova addProperty Acquisition Time=0.10649599999999994 test 0: 62_62-hmqc_62-hmqc.mnova addProperty IFD.property.dataobject.timestamp=2021-12-04T16:43:04 test 0: 62_62-hmqc_62-hmqc.mnova addProperty Acquisition Date=2021-12-04T16:43:04 test 0: 62_62-hmqc_62-hmqc.mnova addProperty Modification Date=2021-12-04T16:52:38 test 0: 62_62-hmqc_62-hmqc.mnova addProperty Spectrum Quality=0 test 0: 62_62-hmqc_62-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.692234813598 test 0: 62_62-hmqc_62-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41200205 test 0: 62_62-hmqc_62-hmqc.mnova addProperty Spectral Width=4807.69230769231 test 0: 62_62-hmqc_62-hmqc.mnova addProperty Lowest Frequency=-401.796153858833 test 0: 62_62-hmqc_62-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 62_62-hmqc_62-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 62_62-hmqc_62-hmqc.mnova addProperty Acquired Size=512 test 0: 62_62-hmqc_62-hmqc.mnova addProperty Spectral Size=512 test 0: 62_62-hmqc_62-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 62_62-hmqc_62-hmqc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 62_62-hmqc_62-hmqc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 62/62-cosy/62-cosy.zip|21/ test 0: Phase 2.1 checking zip directory: 9 62/62-cosy/62-cosy.zip|21/pdata/ test 0: Phase 2.1 checking zip directory: 10 62/62-cosy/62-cosy.zip|21/pdata/1/ test 0: !rezip pattern found 62/62-cosy/62-cosy.zip|21/ [IFDRepresentation type=null ref=[IFDReference Archive::62/62-cosy/62-cosy.zip|21/ :as::62_62-cosy_62-cosy.zip..21.zip]] test 0: 62_62-cosy_62-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 62_62-cosy_62-cosy.mnova addProperty Title=Dec04-2021.21.ser test 0: 62_62-cosy_62-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-199, CD3OD cosy test 0: 62_62-cosy_62-cosy.mnova addProperty Comment=TM-VI-199, CD3OD cosy test 0: 62_62-cosy_62-cosy.mnova addProperty Origin=Bruker test 0: 62_62-cosy_62-cosy.mnova addProperty Instrument=spect test 0: 62_62-cosy_62-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 62_62-cosy_62-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.1235 test 0: 62_62-cosy_62-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=cosygpqf test 0: 62_62-cosy_62-cosy.mnova addProperty Experiment=COSY test 0: 62_62-cosy_62-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 62_62-cosy_62-cosy.mnova addProperty Number of Scans=4 test 0: 62_62-cosy_62-cosy.mnova addProperty Receiver Gain=207.33 test 0: 62_62-cosy_62-cosy.mnova addProperty Relaxation Delay=1.0 test 0: 62_62-cosy_62-cosy.mnova addProperty Pulse Width=11.25 test 0: 62_62-cosy_62-cosy.mnova addProperty Acquisition Time=0.10649599999999994 test 0: 62_62-cosy_62-cosy.mnova addProperty IFD.property.dataobject.timestamp=2021-12-04T15:38:51 test 0: 62_62-cosy_62-cosy.mnova addProperty Acquisition Date=2021-12-04T15:38:51 test 0: 62_62-cosy_62-cosy.mnova addProperty Modification Date=2021-12-04T15:47:51 test 0: 62_62-cosy_62-cosy.mnova addProperty Spectrum Quality=0 test 0: 62_62-cosy_62-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.41200205 test 0: 62_62-cosy_62-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41200205 test 0: 62_62-cosy_62-cosy.mnova addProperty Spectral Width=4807.69230769231 test 0: 62_62-cosy_62-cosy.mnova addProperty Lowest Frequency=-401.796153858833 test 0: 62_62-cosy_62-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 62_62-cosy_62-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 62_62-cosy_62-cosy.mnova addProperty Acquired Size=512 test 0: 62_62-cosy_62-cosy.mnova addProperty Spectral Size=512 test 0: 62_62-cosy_62-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 62_62-cosy_62-cosy.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 62_62-cosy_62-cosy.mnova addProperty mnovaVersion=14.1.1-24571 test 0: 62_62-13C_62-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 62_62-13C_62-13C.mnova addProperty Title=Dec07-2021.10.fid test 0: 62_62-13C_62-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=T Mies TM-VI-199 in CD3OD ; 13C{1H} spectrum using Av500 ; Dec07-2021/10 test 0: 62_62-13C_62-13C.mnova addProperty Comment=T Mies TM-VI-199 in CD3OD ; 13C{1H} spectrum using Av500 ; Dec07-2021/10 test 0: 62_62-13C_62-13C.mnova addProperty Origin=Bruker test 0: 62_62-13C_62-13C.mnova addProperty Instrument=spect test 0: 62_62-13C_62-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 62_62-13C_62-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=296.9999 test 0: 62_62-13C_62-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 62_62-13C_62-13C.mnova addProperty Experiment=1D test 0: 62_62-13C_62-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z113652/0172 test 0: 62_62-13C_62-13C.mnova addProperty Number of Scans=11486 test 0: 62_62-13C_62-13C.mnova addProperty Receiver Gain=196.61 test 0: 62_62-13C_62-13C.mnova addProperty Relaxation Delay=1.0 test 0: 62_62-13C_62-13C.mnova addProperty Pulse Width=9.0 test 0: 62_62-13C_62-13C.mnova addProperty Acquisition Time=0.458752 test 0: 62_62-13C_62-13C.mnova addProperty IFD.property.dataobject.timestamp=2021-12-07T11:36:00 test 0: 62_62-13C_62-13C.mnova addProperty Acquisition Date=2021-12-07T11:36:00 test 0: 62_62-13C_62-13C.mnova addProperty Modification Date=2021-12-07T15:06:39 test 0: 62_62-13C_62-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=125.770363830806 test 0: 62_62-13C_62-13C.mnova addProperty Spectrum Quality=0 test 0: 62_62-13C_62-13C.mnova addProperty Spectral Width=35714.2857142857 test 0: 62_62-13C_62-13C.mnova addProperty Lowest Frequency=-5105.89484413918 test 0: 62_62-13C_62-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 62_62-13C_62-13C.mnova addProperty Acquired Size=16384 test 0: 62_62-13C_62-13C.mnova addProperty Spectral Size=65536 test 0: 62_62-13C_62-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=500.0 test 0: 62_62-13C_62-13C.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 62_62-13C_62-13C.mnova addProperty mnovaVersion=14.1.1-24571 test 0: Phase 2.1 checking zip directory: 2 62/62-13C/62-13C.zip|10/ test 0: Phase 2.1 checking zip directory: 10 62/62-13C/62-13C.zip|10/pdata/ test 0: Phase 2.1 checking zip directory: 11 62/62-13C/62-13C.zip|10/pdata/1/ test 0: !rezip pattern found 62/62-13C/62-13C.zip|10/ [IFDRepresentation type=null ref=[IFDReference Archive::62/62-13C/62-13C.zip|10/ :as::62_62-13C_62-13C.zip..10.zip]] test 0: 62_62-hmbc_62-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker/Mestrelab test 0: 62_62-hmbc_62-hmbc.mnova addProperty Title=Dec04-2021.23.ser test 0: 62_62-hmbc_62-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-199, CD3OD hmbc test 0: 62_62-hmbc_62-hmbc.mnova addProperty Comment=TM-VI-199, CD3OD hmbc test 0: 62_62-hmbc_62-hmbc.mnova addProperty Origin=Bruker test 0: 62_62-hmbc_62-hmbc.mnova addProperty Instrument=spect test 0: 62_62-hmbc_62-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 62_62-hmbc_62-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.8573 test 0: 62_62-hmbc_62-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 62_62-hmbc_62-hmbc.mnova addProperty Experiment=HMBC test 0: 62_62-hmbc_62-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 62_62-hmbc_62-hmbc.mnova addProperty Number of Scans=8 test 0: 62_62-hmbc_62-hmbc.mnova addProperty Receiver Gain=207.33 test 0: 62_62-hmbc_62-hmbc.mnova addProperty Relaxation Delay=1.0 test 0: 62_62-hmbc_62-hmbc.mnova addProperty Pulse Width=11.25 test 0: 62_62-hmbc_62-hmbc.mnova addProperty Acquisition Time=0.08519680000000006 test 0: 62_62-hmbc_62-hmbc.mnova addProperty IFD.property.dataobject.timestamp=2021-12-04T16:22:53 test 0: 62_62-hmbc_62-hmbc.mnova addProperty Acquisition Date=2021-12-04T16:22:53 test 0: 62_62-hmbc_62-hmbc.mnova addProperty Modification Date=2021-12-04T16:42:33 test 0: 62_62-hmbc_62-hmbc.mnova addProperty Spectrum Quality=0 test 0: 62_62-hmbc_62-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.6952553088 test 0: 62_62-hmbc_62-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41280287 test 0: 62_62-hmbc_62-hmbc.mnova addProperty Spectral Width=6009.61538461538 test 0: 62_62-hmbc_62-hmbc.mnova addProperty Lowest Frequency=-201.937692325443 test 0: 62_62-hmbc_62-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 62_62-hmbc_62-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 62_62-hmbc_62-hmbc.mnova addProperty Acquired Size=512 test 0: 62_62-hmbc_62-hmbc.mnova addProperty Spectral Size=512 test 0: 62_62-hmbc_62-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400.0 test 0: 62_62-hmbc_62-hmbc.mnova addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 62_62-hmbc_62-hmbc.mnova addProperty mnovaVersion=14.1.1-24571 test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C38 H41 La N6 O11 test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2151 test 0: !Jmol 66 bonds read test 0: !Jmol CIF creating molecule for 208 atoms using GEOM_BOND records test 0: !Jmol reading 104 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 104 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C38 H41 La N6 O11 test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2151 test 0: !Jmol reading 232 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 232 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 2 ms test 0: Phase 2.1 checking zip directory: 1121 65/ test 0: Phase 2.1 checking zip directory: 1123 65/65-IR/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 82 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 82 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: Phase 2.1 checking zip directory: 1125 65/65-X-ray/ test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C56.75 H55 Dy N8 Na O16.75 test 0: !Jmol Setting space group name to 118 test 0: !Jmol Setting space group name to HM:P -4 n 2 test 0: !Jmol Setting space group name to Hall:P -4 -2n test 0: !Jmol AB2222 test 0: !Jmol error reading uncertainty for 1.3900 on line C7 C8 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C7 C12 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C8 C9 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C9 C10 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C10 C11 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C11 C12 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C7' C8' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C7' C12' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C8' C9' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C9' C10' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C10' C11' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C11' C12' 1.3900 . ? test 0: !Jmol 45 bonds read test 0: !Jmol CIF creating molecule for 458 atoms using GEOM_BOND records test 0: !Jmol reading 229 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 229 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 2 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C56.75 H55 Dy N8 Na O16.75 test 0: !Jmol Setting space group name to 118 test 0: !Jmol Setting space group name to HM:P -4 n 2 test 0: !Jmol Setting space group name to Hall:P -4 -2n test 0: !Jmol AB2222 test 0: !Jmol reading 502 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 502 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 3 ms test 0: Phase 2.1 checking zip directory: 1130 66/ test 0: Phase 2.1 checking zip directory: 1131 66/66-X-ray/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 52 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 52 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 0 ms test 0: Phase 2.1 checking zip directory: 1136 66/66-IR/ test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C36 H37 Dy N6 O11 test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2202 test 0: !Jmol error reading uncertainty for 1.3900 on line C46 C47 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C46 C51 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C47 C48 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C48 C49 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C49 C50 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C50 C51 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C46' C47' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C46' C51' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C47' C48' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C48' C49' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C49' C50' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C50' C51' 1.3900 . ? test 0: !Jmol 69 bonds read test 0: !Jmol CIF creating molecule for 204 atoms using GEOM_BOND records test 0: !Jmol reading 102 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 102 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 6 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C36 H37 Dy N6 O11 test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol AB2202 test 0: !Jmol reading 232 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 232 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 1 ms test 0: Phase 2.1 checking zip directory: 1139 70/ test 0: Phase 2.1 checking zip directory: 1141 70/70-IR/ test 0: Phase 2.1 checking zip directory: 1143 70/70-X-ray/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 52 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 52 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C38 H41 N6 O11 Yb test 0: !Jmol Setting space group name to 61 test 0: !Jmol Setting space group name to HM:P b c a test 0: !Jmol Setting space group name to Hall:-P 2ac 2ab test 0: !Jmol AB2205 test 0: !Jmol 64 bonds read test 0: !Jmol CIF creating molecule for 776 atoms using GEOM_BOND records test 0: !Jmol reading 97 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 97 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 10 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C38 H41 N6 O11 Yb test 0: !Jmol Setting space group name to 61 test 0: !Jmol Setting space group name to HM:P b c a test 0: !Jmol Setting space group name to Hall:-P 2ac 2ab test 0: !Jmol AB2205 test 0: !Jmol reading 838 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 838 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 4 ms test 0: Phase 2.1 checking zip directory: 1148 73/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 123 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 123 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: ! DefaultStructureHelper WARNING: SMILES could not be created for 73/73.cdxml MF=H 76 C 44 N 4 O 13 U 1 test 0: Phase 2.1 checking zip directory: 1151 73/73-x-ray/ test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C30 H38 N4 O12 U test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol 73 test 0: !Jmol error reading uncertainty for 1.3900 on line C7 C8 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C7 C12 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C8 C9 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C9 C10 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C10 C11 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C11 C12 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C7' C8' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C7' C12' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C8' C9' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C9' C10' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C10' C11' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C11' C12' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C27 C28 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C27 C32 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C28 C29 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C29 C30 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C30 C31 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C31 C32 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C27' C28' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C27' C32' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C28' C29' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C29' C30' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C30' C31' 1.3900 . ? test 0: !Jmol error reading uncertainty for 1.3900 on line C31' C32' 1.3900 . ? test 0: !Jmol 71 bonds read test 0: !Jmol CIF creating molecule for 246 atoms using GEOM_BOND records test 0: !Jmol reading 245 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 123 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 245 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 7 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C30 H38 N4 O12 U test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol 73 test 0: !Jmol reading 272 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 123 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 272 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 3 ms test 0: Phase 2.1 checking zip directory: 1153 74/ test 0: Phase 2.1 checking zip directory: 1155 74/74-x-ray/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol Warning: O An atom in this label has an invalid valence. test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 79 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 79 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C29 H27 N5 O8 U test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol 74 test 0: !Jmol 54 bonds read test 0: !Jmol CIF creating molecule for 158 atoms using GEOM_BOND records test 0: !Jmol reading 79 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 79 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C29 H27 N5 O8 U test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol 74 test 0: !Jmol reading 186 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol model 1.1 alternative locations: 12 test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 186 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 2 ms test 0: Phase 2.1 checking zip directory: 1158 75/ test 0: Phase 2.1 checking zip directory: 1159 75/75-x-ray/ test 0: !Jmol eval ERROR: ---- load data "model" _audit_creation_date 2023-04-21 _audit_creation_method 'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)' _computing_data_collection 'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)' _computing_cell_refinement 'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)' _computing_data_reduction 'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)' _cell_length_a 13.7499(7) _cell_length_b 16.0992(6) _cell_length_c 18.3318(11) _cell_angle_alpha 95.199(4) _cell_angle_beta 104.557(5) _cell_angle_gamma 90.954(4) _cell_volume 3908.3(3) _cell_formula_units_Z 2.00 _cell_measurement_temperature 173.00(14) _cell_measurement_reflns_used 5382 _cell_measurement_theta_min 2.9320 _cell_measurement_theta_max 27.6290 _cell_oxdiff_length_a 13.7499(7) _cell_oxdiff_length_b 16.0992(6) _cell_oxdiff_length_c 18.3318(11) _cell_oxdiff_angle_alpha 95.199(4) _cell_oxdiff_angle_beta 104.557(5) _cell_oxdiff_angle_gamma 90.954(4) _cell_oxdiff_volume 3908.3(3) _cell_oxdiff_measurement_reflns_used 5382 _exptl_crystal_size_max 0.247 _exptl_crystal_size_mid 0.139 _exptl_crystal_size_min 0.033 _exptl_crystal_density_diffrn 1.663 _exptl_crystal_F_000 2146.000 loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist -17 1 -5 0.0230 3 17 13 0.0552 4 -6 -24 0.0510 16 -7 -17 0.0361 -14 16 8 0.0565 5 19 -16 0.1248 0 -22 7 0.1189 -10 3 24 0.0843 -8 -12 23 0.1016 1 0 0 0.0102 -18 0 -2 0.0164 loop_ _exptl_oxdiff_crystal_face_indexfrac_h _exptl_oxdiff_crystal_face_indexfrac_k _exptl_oxdiff_crystal_face_indexfrac_l _exptl_oxdiff_crystal_face_x _exptl_oxdiff_crystal_face_y _exptl_oxdiff_crystal_face_z -17.3071 0.7417 -5.4491 0.1818 -0.9801 0.0802 2.5558 17.1224 13.2311 0.6592 0.5635 0.4980 4.3864 -6.3767 -24.0371 -0.9203 -0.3812 0.0875 15.7111 -6.8425 -17.2575 -0.9426 0.3337 -0.0088 -13.7355 15.5803 8.0929 0.7893 -0.3768 0.4849 4.7674 18.5615 -16.3992 -0.2448 0.0072 0.9695 0.3113 -22.2679 7.1190 -0.1980 0.0044 -0.9802 -10.0334 3.1366 24.0998 0.9714 0.0763 -0.2248 -7.6713 -11.5658 22.7442 0.6179 0.0481 -0.7848 0.9988 0.0018 0.0048 -0.0190 0.0498 0.0014 -18.2857 -0.2837 -2.0383 0.2841 -0.9588 -0.0091 _exptl_absorpt_coefficient_mu 4.196 _exptl_absorpt_correction_T_min 0.563 _exptl_absorpt_correction_T_max 0.880 _exptl_absorpt_correction_type analytical _exptl_absorpt_process_details ; CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _oxdiff_exptl_absorpt_empirical_full_min 0.799 _oxdiff_exptl_absorpt_empirical_full_max 1.128 _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _diffrn_ambient_temperature 173.00(14) _diffrn_ambient_environment N~2~ _diffrn_source 'fine-focus sealed X-ray tube' _diffrn_source_type 'Enhance (Mo) X-ray Source' _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_monochromator graphite _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'Xcalibur, Eos' _diffrn_detector 'CCD plate' _diffrn_detector_type Eos _diffrn_detector_area_resol_mean 16.0382 _diffrn_reflns_number 22878 _diffrn_reflns_av_R_equivalents 0.0518 _diffrn_reflns_av_sigmaI/netI 0.1013 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_k_min -21 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_theta_min 2.3068 _diffrn_reflns_theta_max 28.3637 _diffrn_measured_fraction_theta_max 0.7888 _diffrn_reflns_theta_full 24.9737 _diffrn_measured_fraction_theta_full 0.9906 _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 -0.0191576000 _diffrn_orient_matrix_UB_12 0.0182043000 _diffrn_orient_matrix_UB_13 0.0299627000 _diffrn_orient_matrix_UB_21 0.0497619000 _diffrn_orient_matrix_UB_22 0.0078096000 _diffrn_orient_matrix_UB_23 0.0228686000 _diffrn_orient_matrix_UB_31 0.0014327000 _diffrn_orient_matrix_UB_32 0.0395988000 _diffrn_orient_matrix_UB_33 -0.0138851000 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames -------------------------------------------------------------------------- 1 \w -40.00 53.00 1.00 105.54 -- -13.18 77.00 -30.00 93 2 \w -80.00 13.00 1.00 105.54 -- -13.18 -77.00-150.00 93 3 \w -2.00 82.00 1.00 105.54 -- 14.27 57.00 120.00 84 ; _diffrn_measurement_method '\w scans' _symmetry_space_group_name_H-M_alt 'P -1' _symmetry_space_group_name_H-M 'P -1' _symmetry_cell_setting triclinic _space_group_IT_number 2 _space_group_crystal_system triclinic _space_group_name_H-M_alt 'P -1' _reflns_odcompleteness_completeness 99.06 _reflns_odcompleteness_theta 24.97 _reflns_odcompleteness_iscentric 1 _chemical_oxdiff_formula 'C84 H74 N9 O17 U2' _chemical_oxdiff_usercomment TMLBUO2L3 end "model" 1 filter <<<<"no3D;noHydrogen" Eval pc:1 2 statements ---- Token[keyword(3/0x9003) value="set"] Token[keyword(2/0x24000002) value="allowEmbeddedScripts"] Token[keyword(510/0x400001fe) intValue=0(0x0) value="off"] ---- Token[keyword(3/0x8001603) value="load"] Token[keyword(10/0x800100a) value="data"] Token[string(4/0x4) value="model"] Token[keyword(10/0x800100a) value="_audit_creation_date 2023-04-21 _audit_creation_method 'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)' _computing_data_collection 'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)' _computing_cell_refinement 'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)' _computing_data_reduction 'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)' _cell_length_a 13.7499(7) _cell_length_b 16.0992(6) _cell_length_c 18.3318(11) _cell_angle_alpha 95.199(4) _cell_angle_beta 104.557(5) _cell_angle_gamma 90.954(4) _cell_volume 3908.3(3) _cell_formula_units_Z 2.00 _cell_measurement_temperature 173.00(14) _cell_measurement_reflns_used 5382 _cell_measurement_theta_min 2.9320 _cell_measurement_theta_max 27.6290 _cell_oxdiff_length_a 13.7499(7) _cell_oxdiff_length_b 16.0992(6) _cell_oxdiff_length_c 18.3318(11) _cell_oxdiff_angle_alpha 95.199(4) _cell_oxdiff_angle_beta 104.557(5) _cell_oxdiff_angle_gamma 90.954(4) _cell_oxdiff_volume 3908.3(3) _cell_oxdiff_measurement_reflns_used 5382 _exptl_crystal_size_max 0.247 _exptl_crystal_size_mid 0.139 _exptl_crystal_size_min 0.033 _exptl_crystal_density_diffrn 1.663 _exptl_crystal_F_000 2146.000 loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist -17 1 -5 0.0230 3 17 13 0.0552 4 -6 -24 0.0510 16 -7 -17 0.0361 -14 16 8 0.0565 5 19 -16 0.1248 0 -22 7 0.1189 -10 3 24 0.0843 -8 -12 23 0.1016 1 0 0 0.0102 -18 0 -2 0.0164 loop_ _exptl_oxdiff_crystal_face_indexfrac_h _exptl_oxdiff_crystal_face_indexfrac_k _exptl_oxdiff_crystal_face_indexfrac_l _exptl_oxdiff_crystal_face_x _exptl_oxdiff_crystal_face_y _exptl_oxdiff_crystal_face_z -17.3071 0.7417 -5.4491 0.1818 -0.9801 0.0802 2.5558 17.1224 13.2311 0.6592 0.5635 0.4980 4.3864 -6.3767 -24.0371 -0.9203 -0.3812 0.0875 15.7111 -6.8425 -17.2575 -0.9426 0.3337 -0.0088 -13.7355 15.5803 8.0929 0.7893 -0.3768 0.4849 4.7674 18.5615 -16.3992 -0.2448 0.0072 0.9695 0.3113 -22.2679 7.1190 -0.1980 0.0044 -0.9802 -10.0334 3.1366 24.0998 0.9714 0.0763 -0.2248 -7.6713 -11.5658 22.7442 0.6179 0.0481 -0.7848 0.9988 0.0018 0.0048 -0.0190 0.0498 0.0014 -18.2857 -0.2837 -2.0383 0.2841 -0.9588 -0.0091 _exptl_absorpt_coefficient_mu 4.196 _exptl_absorpt_correction_T_min 0.563 _exptl_absorpt_correction_T_max 0.880 _exptl_absorpt_correction_type analytical _exptl_absorpt_process_details ; CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _oxdiff_exptl_absorpt_empirical_full_min 0.799 _oxdiff_exptl_absorpt_empirical_full_max 1.128 _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _diffrn_ambient_temperature 173.00(14) _diffrn_ambient_environment N~2~ _diffrn_source 'fine-focus sealed X-ray tube' _diffrn_source_type 'Enhance (Mo) X-ray Source' _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_monochromator graphite _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'Xcalibur, Eos' _diffrn_detector 'CCD plate' _diffrn_detector_type Eos _diffrn_detector_area_resol_mean 16.0382 _diffrn_reflns_number 22878 _diffrn_reflns_av_R_equivalents 0.0518 _diffrn_reflns_av_sigmaI/netI 0.1013 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_k_min -21 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_theta_min 2.3068 _diffrn_reflns_theta_max 28.3637 _diffrn_measured_fraction_theta_max 0.7888 _diffrn_reflns_theta_full 24.9737 _diffrn_measured_fraction_theta_full 0.9906 _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 -0.0191576000 _diffrn_orient_matrix_UB_12 0.0182043000 _diffrn_orient_matrix_UB_13 0.0299627000 _diffrn_orient_matrix_UB_21 0.0497619000 _diffrn_orient_matrix_UB_22 0.0078096000 _diffrn_orient_matrix_UB_23 0.0228686000 _diffrn_orient_matrix_UB_31 0.0014327000 _diffrn_orient_matrix_UB_32 0.0395988000 _diffrn_orient_matrix_UB_33 -0.0138851000 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames -------------------------------------------------------------------------- 1 \w -40.00 53.00 1.00 105.54 -- -13.18 77.00 -30.00 93 2 \w -80.00 13.00 1.00 105.54 -- -13.18 -77.00-150.00 93 3 \w -2.00 82.00 1.00 105.54 -- 14.27 57.00 120.00 84 ; _diffrn_measurement_method '\w scans' _symmetry_space_group_name_H-M_alt 'P -1' _symmetry_space_group_name_H-M 'P -1' _symmetry_cell_setting triclinic _space_group_IT_number 2 _space_group_crystal_system triclinic _space_group_name_H-M_alt 'P -1' _reflns_odcompleteness_completeness 99.06 _reflns_odcompleteness_theta 24.97 _reflns_odcompleteness_iscentric 1 _chemical_oxdiff_formula 'C84 H74 N9 O17 U2' _chemical_oxdiff_usercomment TMLBUO2L3 "] Token[keyword(9/0x19009) value="end"] Token[string(4/0x4) value="model"] Token[integer(2/0x2) intValue=1(0x1) value="1"][null index =2147483647 intValue=1] Token[keyword(116/0x40000074) value="filter"] Token[string(4/0x4) value="no3D;noHydrogen"] END test 0: !Jmol eval ERROR: ---- load data "model" _audit_creation_date 2023-04-21 _audit_creation_method 'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)' _computing_data_collection 'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)' _computing_cell_refinement 'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)' _computing_data_reduction 'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)' _cell_length_a 13.7499(7) _cell_length_b 16.0992(6) _cell_length_c 18.3318(11) _cell_angle_alpha 95.199(4) _cell_angle_beta 104.557(5) _cell_angle_gamma 90.954(4) _cell_volume 3908.3(3) _cell_formula_units_Z 2.00 _cell_measurement_temperature 173.00(14) _cell_measurement_reflns_used 5382 _cell_measurement_theta_min 2.9320 _cell_measurement_theta_max 27.6290 _cell_oxdiff_length_a 13.7499(7) _cell_oxdiff_length_b 16.0992(6) _cell_oxdiff_length_c 18.3318(11) _cell_oxdiff_angle_alpha 95.199(4) _cell_oxdiff_angle_beta 104.557(5) _cell_oxdiff_angle_gamma 90.954(4) _cell_oxdiff_volume 3908.3(3) _cell_oxdiff_measurement_reflns_used 5382 _exptl_crystal_size_max 0.247 _exptl_crystal_size_mid 0.139 _exptl_crystal_size_min 0.033 _exptl_crystal_density_diffrn 1.663 _exptl_crystal_F_000 2146.000 loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist -17 1 -5 0.0230 3 17 13 0.0552 4 -6 -24 0.0510 16 -7 -17 0.0361 -14 16 8 0.0565 5 19 -16 0.1248 0 -22 7 0.1189 -10 3 24 0.0843 -8 -12 23 0.1016 1 0 0 0.0102 -18 0 -2 0.0164 loop_ _exptl_oxdiff_crystal_face_indexfrac_h _exptl_oxdiff_crystal_face_indexfrac_k _exptl_oxdiff_crystal_face_indexfrac_l _exptl_oxdiff_crystal_face_x _exptl_oxdiff_crystal_face_y _exptl_oxdiff_crystal_face_z -17.3071 0.7417 -5.4491 0.1818 -0.9801 0.0802 2.5558 17.1224 13.2311 0.6592 0.5635 0.4980 4.3864 -6.3767 -24.0371 -0.9203 -0.3812 0.0875 15.7111 -6.8425 -17.2575 -0.9426 0.3337 -0.0088 -13.7355 15.5803 8.0929 0.7893 -0.3768 0.4849 4.7674 18.5615 -16.3992 -0.2448 0.0072 0.9695 0.3113 -22.2679 7.1190 -0.1980 0.0044 -0.9802 -10.0334 3.1366 24.0998 0.9714 0.0763 -0.2248 -7.6713 -11.5658 22.7442 0.6179 0.0481 -0.7848 0.9988 0.0018 0.0048 -0.0190 0.0498 0.0014 -18.2857 -0.2837 -2.0383 0.2841 -0.9588 -0.0091 _exptl_absorpt_coefficient_mu 4.196 _exptl_absorpt_correction_T_min 0.563 _exptl_absorpt_correction_T_max 0.880 _exptl_absorpt_correction_type analytical _exptl_absorpt_process_details ; CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _oxdiff_exptl_absorpt_empirical_full_min 0.799 _oxdiff_exptl_absorpt_empirical_full_max 1.128 _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _diffrn_ambient_temperature 173.00(14) _diffrn_ambient_environment N~2~ _diffrn_source 'fine-focus sealed X-ray tube' _diffrn_source_type 'Enhance (Mo) X-ray Source' _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_monochromator graphite _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'Xcalibur, Eos' _diffrn_detector 'CCD plate' _diffrn_detector_type Eos _diffrn_detector_area_resol_mean 16.0382 _diffrn_reflns_number 22878 _diffrn_reflns_av_R_equivalents 0.0518 _diffrn_reflns_av_sigmaI/netI 0.1013 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_k_min -21 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_theta_min 2.3068 _diffrn_reflns_theta_max 28.3637 _diffrn_measured_fraction_theta_max 0.7888 _diffrn_reflns_theta_full 24.9737 _diffrn_measured_fraction_theta_full 0.9906 _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 -0.0191576000 _diffrn_orient_matrix_UB_12 0.0182043000 _diffrn_orient_matrix_UB_13 0.0299627000 _diffrn_orient_matrix_UB_21 0.0497619000 _diffrn_orient_matrix_UB_22 0.0078096000 _diffrn_orient_matrix_UB_23 0.0228686000 _diffrn_orient_matrix_UB_31 0.0014327000 _diffrn_orient_matrix_UB_32 0.0395988000 _diffrn_orient_matrix_UB_33 -0.0138851000 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames -------------------------------------------------------------------------- 1 \w -40.00 53.00 1.00 105.54 -- -13.18 77.00 -30.00 93 2 \w -80.00 13.00 1.00 105.54 -- -13.18 -77.00-150.00 93 3 \w -2.00 82.00 1.00 105.54 -- 14.27 57.00 120.00 84 ; _diffrn_measurement_method '\w scans' _symmetry_space_group_name_H-M_alt 'P -1' _symmetry_space_group_name_H-M 'P -1' _symmetry_cell_setting triclinic _space_group_IT_number 2 _space_group_crystal_system triclinic _space_group_name_H-M_alt 'P -1' _reflns_odcompleteness_completeness 99.06 _reflns_odcompleteness_theta 24.97 _reflns_odcompleteness_iscentric 1 _chemical_oxdiff_formula 'C84 H74 N9 O17 U2' _chemical_oxdiff_usercomment TMLBUO2L3 end "model" <<<<1 << packed Eval pc:0 5 statements ---- Token[keyword(3/0x8001603) value="load"] Token[keyword(10/0x800100a) value="data"] Token[string(4/0x4) value="model"] Token[keyword(10/0x800100a) value="_audit_creation_date 2023-04-21 _audit_creation_method 'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)' _computing_data_collection 'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)' _computing_cell_refinement 'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)' _computing_data_reduction 'CrysAlisPro 1.171.38.46 (Rigaku OD, 2015)' _cell_length_a 13.7499(7) _cell_length_b 16.0992(6) _cell_length_c 18.3318(11) _cell_angle_alpha 95.199(4) _cell_angle_beta 104.557(5) _cell_angle_gamma 90.954(4) _cell_volume 3908.3(3) _cell_formula_units_Z 2.00 _cell_measurement_temperature 173.00(14) _cell_measurement_reflns_used 5382 _cell_measurement_theta_min 2.9320 _cell_measurement_theta_max 27.6290 _cell_oxdiff_length_a 13.7499(7) _cell_oxdiff_length_b 16.0992(6) _cell_oxdiff_length_c 18.3318(11) _cell_oxdiff_angle_alpha 95.199(4) _cell_oxdiff_angle_beta 104.557(5) _cell_oxdiff_angle_gamma 90.954(4) _cell_oxdiff_volume 3908.3(3) _cell_oxdiff_measurement_reflns_used 5382 _exptl_crystal_size_max 0.247 _exptl_crystal_size_mid 0.139 _exptl_crystal_size_min 0.033 _exptl_crystal_density_diffrn 1.663 _exptl_crystal_F_000 2146.000 loop_ _exptl_crystal_face_index_h _exptl_crystal_face_index_k _exptl_crystal_face_index_l _exptl_crystal_face_perp_dist -17 1 -5 0.0230 3 17 13 0.0552 4 -6 -24 0.0510 16 -7 -17 0.0361 -14 16 8 0.0565 5 19 -16 0.1248 0 -22 7 0.1189 -10 3 24 0.0843 -8 -12 23 0.1016 1 0 0 0.0102 -18 0 -2 0.0164 loop_ _exptl_oxdiff_crystal_face_indexfrac_h _exptl_oxdiff_crystal_face_indexfrac_k _exptl_oxdiff_crystal_face_indexfrac_l _exptl_oxdiff_crystal_face_x _exptl_oxdiff_crystal_face_y _exptl_oxdiff_crystal_face_z -17.3071 0.7417 -5.4491 0.1818 -0.9801 0.0802 2.5558 17.1224 13.2311 0.6592 0.5635 0.4980 4.3864 -6.3767 -24.0371 -0.9203 -0.3812 0.0875 15.7111 -6.8425 -17.2575 -0.9426 0.3337 -0.0088 -13.7355 15.5803 8.0929 0.7893 -0.3768 0.4849 4.7674 18.5615 -16.3992 -0.2448 0.0072 0.9695 0.3113 -22.2679 7.1190 -0.1980 0.0044 -0.9802 -10.0334 3.1366 24.0998 0.9714 0.0763 -0.2248 -7.6713 -11.5658 22.7442 0.6179 0.0481 -0.7848 0.9988 0.0018 0.0048 -0.0190 0.0498 0.0014 -18.2857 -0.2837 -2.0383 0.2841 -0.9588 -0.0091 _exptl_absorpt_coefficient_mu 4.196 _exptl_absorpt_correction_T_min 0.563 _exptl_absorpt_correction_T_max 0.880 _exptl_absorpt_correction_type analytical _exptl_absorpt_process_details ; CrysAlisPro 1.171.38.46 (Rigaku Oxford Diffraction, 2015) Analytical numeric absorption correction using a multifaceted crystal model based on expressions derived by R.C. Clark & J.S. Reid. (Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897) Empirical absorption correction using spherical harmonics, implemented in SCALE3 ABSPACK scaling algorithm. ; _oxdiff_exptl_absorpt_empirical_full_min 0.799 _oxdiff_exptl_absorpt_empirical_full_max 1.128 _oxdiff_exptl_absorpt_empirical_details ; Empirical correction (ABSPACK) includes: - Absorption correction using spherical harmonics - Frame scaling ; _diffrn_ambient_temperature 173.00(14) _diffrn_ambient_environment N~2~ _diffrn_source 'fine-focus sealed X-ray tube' _diffrn_source_type 'Enhance (Mo) X-ray Source' _diffrn_radiation_probe x-ray _diffrn_radiation_type 'Mo K\a' _diffrn_radiation_wavelength 0.71073 _diffrn_radiation_monochromator graphite _diffrn_measurement_device 'four-circle diffractometer' _diffrn_measurement_device_type 'Xcalibur, Eos' _diffrn_detector 'CCD plate' _diffrn_detector_type Eos _diffrn_detector_area_resol_mean 16.0382 _diffrn_reflns_number 22878 _diffrn_reflns_av_R_equivalents 0.0518 _diffrn_reflns_av_sigmaI/netI 0.1013 _diffrn_reflns_limit_h_min -15 _diffrn_reflns_limit_h_max 17 _diffrn_reflns_limit_k_min -21 _diffrn_reflns_limit_k_max 21 _diffrn_reflns_limit_l_min -21 _diffrn_reflns_limit_l_max 21 _diffrn_reflns_theta_min 2.3068 _diffrn_reflns_theta_max 28.3637 _diffrn_measured_fraction_theta_max 0.7888 _diffrn_reflns_theta_full 24.9737 _diffrn_measured_fraction_theta_full 0.9906 _diffrn_orient_matrix_type 'CrysAlisPro convention (1999,Acta A55,543-557)' _diffrn_orient_matrix_UB_11 -0.0191576000 _diffrn_orient_matrix_UB_12 0.0182043000 _diffrn_orient_matrix_UB_13 0.0299627000 _diffrn_orient_matrix_UB_21 0.0497619000 _diffrn_orient_matrix_UB_22 0.0078096000 _diffrn_orient_matrix_UB_23 0.0228686000 _diffrn_orient_matrix_UB_31 0.0014327000 _diffrn_orient_matrix_UB_32 0.0395988000 _diffrn_orient_matrix_UB_33 -0.0138851000 _diffrn_measurement_details ; List of Runs (angles in degrees, time in seconds): # Type Start End Width t~exp~ \w \q \k \f Frames -------------------------------------------------------------------------- 1 \w -40.00 53.00 1.00 105.54 -- -13.18 77.00 -30.00 93 2 \w -80.00 13.00 1.00 105.54 -- -13.18 -77.00-150.00 93 3 \w -2.00 82.00 1.00 105.54 -- 14.27 57.00 120.00 84 ; _diffrn_measurement_method '\w scans' _symmetry_space_group_name_H-M_alt 'P -1' _symmetry_space_group_name_H-M 'P -1' _symmetry_cell_setting triclinic _space_group_IT_number 2 _space_group_crystal_system triclinic _space_group_name_H-M_alt 'P -1' _reflns_odcompleteness_completeness 99.06 _reflns_odcompleteness_theta 24.97 _reflns_odcompleteness_iscentric 1 _chemical_oxdiff_formula 'C84 H74 N9 O17 U2' _chemical_oxdiff_usercomment TMLBUO2L3 "] Token[keyword(9/0x19009) value="end"] Token[string(4/0x4) value="model"] Token[integer(2/0x2) intValue=1(0x1) value="1"][null index =2147483647 intValue=1] Token[keyword(256/0x40000100) value="packed"] ---- Token[keyword(8/0x41401008) value="configuration"] Token[integer(2/0x2) intValue=1(0x1) value="1"][null index =2147483647 intValue=1] ---- Token[keyword(4/0x60003004) value="display"] Token[keyword(501/0x400001f5) value="implicitExpressionBegin"] Token[keyword(27/0x4260081b) value="selected"] Token[keyword(502/0x400001f6) value="expressionEnd"] ---- Token[keyword(3/0x9003) value="set"] Token[keyword(208/0x240000d0) value="zShade"] ---- Token[keyword(48/0x81030) value="rotate"] Token[keyword(40/0x40000028) value="best"] END test 0: Phase 2.1 checking zip directory: 1161 76/ test 0: Phase 2.1 checking zip directory: 1163 76/76-x-ray/ test 0: !Jmol The Resolver thinks XmlCdx test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol CDXML: 2D test 0: !Jmol This model is 2D. Its 3D structure has not been generated; use LOAD "" FILTER "2D" to optimize 3D. test 0: !Jmol #jmolScript: select thismodel;wireframe only test 0: !Jmol reading 50 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 50 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 1 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C17 H19 N5 O8 U test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol lb-uo2l4 test 0: !Jmol error reading uncertainty for 0.8800 on line N3 H3 0.8800 . ? test 0: !Jmol error reading uncertainty for 0.8800 on line N1 H1 0.8800 . ? test 0: !Jmol error reading uncertainty for 0.9500 on line C17 H17 0.9500 . ? test 0: !Jmol error reading uncertainty for 0.9500 on line C15 H15 0.9500 . ? test 0: !Jmol error reading uncertainty for 0.9800 on line C6 H6A 0.9800 . ? test 0: !Jmol error reading uncertainty for 0.9800 on line C6 H6B 0.9800 . ? test 0: !Jmol error reading uncertainty for 0.9800 on line C6 H6C 0.9800 . ? test 0: !Jmol error reading uncertainty for 0.9500 on line C9 H9 0.9500 . ? test 0: !Jmol error reading uncertainty for 0.9800 on line C12 H12A 0.9800 . ? test 0: !Jmol error reading uncertainty for 0.9800 on line C12 H12B 0.9800 . ? test 0: !Jmol error reading uncertainty for 0.9800 on line C12 H12C 0.9800 . ? test 0: !Jmol error reading uncertainty for 0.9500 on line C13 H13 0.9500 . ? test 0: !Jmol error reading uncertainty for 0.9500 on line C14 H14 0.9500 . ? test 0: !Jmol error reading uncertainty for 0.9900 on line C5 H5A 0.9900 . ? test 0: !Jmol error reading uncertainty for 0.9900 on line C5 H5B 0.9900 . ? test 0: !Jmol error reading uncertainty for 0.9500 on line C3 H3A 0.9500 . ? test 0: !Jmol error reading uncertainty for 0.9500 on line C16 H16 0.9500 . ? test 0: !Jmol error reading uncertainty for 0.9900 on line C11 H11A 0.9900 . ? test 0: !Jmol error reading uncertainty for 0.9900 on line C11 H11B 0.9900 . ? test 0: !Jmol 54 bonds read test 0: !Jmol CIF creating molecule for 100 atoms using GEOM_BOND records test 0: !Jmol reading 50 atoms test 0: !Jmol ModelSet: haveSymmetry:false haveUnitcells:false haveFractionalCoord:false test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 50 atoms created test 0: !Jmol ModelSet: not autobonding; use forceAutobond=true to force automatic bond creation test 0: !Jmol Time for creating model: 2 ms test 0: !Jmol The Resolver thinks Cif test 0: !Jmol C17 H19 N5 O8 U test 0: !Jmol Setting space group name to 2 test 0: !Jmol Setting space group name to HM:P -1 test 0: !Jmol Setting space group name to Hall:-P 1 test 0: !Jmol lb-uo2l4 test 0: !Jmol reading 112 atoms test 0: !Jmol ModelSet: haveSymmetry:true haveUnitcells:true haveFractionalCoord:true test 0: !Jmol 1 model in this collection. Use getProperty "modelInfo" or getProperty "auxiliaryInfo" to inspect them. test 0: !Jmol Default Van der Waals type for model set to Babel test 0: !Jmol 112 atoms created test 0: !Jmol ModelSet: autobonding; use autobond=false to not generate bonds automatically test 0: !Jmol Time for creating model: 1 ms test 0: !Phase 2b file:/c:/temp/iupac/henry/v_acs/Archive.tar.gz {compound=IFD.property.fairspec.compound.id::*}{IFD.representation.structure.cdxml::/**/{IFD.property.structure.id::*}.cdxml} test 0: !found IFD.property.structure.id 5 test 0: !found IFD.representation.structure.cdxml /5.cdxml test 0: !found IFD.property.fairspec.compound.id 5 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=5 test 0: !found IFD.property.structure.id 6 test 0: !found IFD.representation.structure.cdxml /6.cdxml test 0: !found IFD.property.fairspec.compound.id 6 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=6 test 0: !found IFD.property.structure.id 8 test 0: !found IFD.representation.structure.cdxml /8.cdxml test 0: !found IFD.property.fairspec.compound.id 8 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=8 test 0: !found IFD.property.structure.id 9 test 0: !found IFD.representation.structure.cdxml /9.cdxml test 0: !found IFD.property.fairspec.compound.id 9 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=9 test 0: !found IFD.property.structure.id 10 test 0: !found IFD.representation.structure.cdxml /10.cdxml test 0: !found IFD.property.fairspec.compound.id 10 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=10 test 0: !found IFD.property.structure.id 11 test 0: !found IFD.representation.structure.cdxml /11.cdxml test 0: !found IFD.property.fairspec.compound.id 11 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=11 test 0: !found IFD.property.structure.id 12 test 0: !found IFD.representation.structure.cdxml /12.cdxml test 0: !found IFD.property.fairspec.compound.id 12 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=12 test 0: !found IFD.property.structure.id 14 test 0: !found IFD.representation.structure.cdxml /14.cdxml test 0: !found IFD.property.fairspec.compound.id 14 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=14 test 0: !found IFD.property.structure.id 15 test 0: !found IFD.representation.structure.cdxml /15.cdxml test 0: !found IFD.property.fairspec.compound.id 15 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=15 test 0: !found IFD.property.structure.id 15b test 0: !found IFD.representation.structure.cdxml /15-13C/15b.cdxml test 0: !found IFD.property.fairspec.compound.id 15 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=15 test 0: !found IFD.property.structure.id 15b test 0: !found IFD.representation.structure.cdxml /15-1H/15b.cdxml test 0: !found IFD.property.fairspec.compound.id 15 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=15 test 0: !found IFD.property.structure.id 16 test 0: !found IFD.representation.structure.cdxml /16.cdxml test 0: !found IFD.property.fairspec.compound.id 16 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=16 test 0: !found IFD.property.structure.id 17 test 0: !found IFD.representation.structure.cdxml /17.cdxml test 0: !found IFD.property.fairspec.compound.id 17 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=17 test 0: !found IFD.property.structure.id 18 test 0: !found IFD.representation.structure.cdxml /18.cdxml test 0: !found IFD.property.fairspec.compound.id 18 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=18 test 0: !found IFD.property.structure.id 19 test 0: !found IFD.representation.structure.cdxml /19.cdxml test 0: !found IFD.property.fairspec.compound.id 19 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=19 test 0: !found IFD.property.structure.id 20 test 0: !found IFD.representation.structure.cdxml /20.cdxml test 0: !found IFD.property.fairspec.compound.id 20 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=20 test 0: !found IFD.property.structure.id 21 test 0: !found IFD.representation.structure.cdxml /21.cdxml test 0: !found IFD.property.fairspec.compound.id 21 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=21 test 0: !found IFD.property.structure.id Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium (21) test 0: !found IFD.representation.structure.cdxml /21-IR/Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium (21).cdxml test 0: !found IFD.property.fairspec.compound.id 21 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=21 test 0: !found IFD.property.structure.id 24 test 0: !found IFD.representation.structure.cdxml /24.cdxml test 0: !found IFD.property.fairspec.compound.id 24 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=24 test 0: !found IFD.property.structure.id 25 test 0: !found IFD.representation.structure.cdxml /25.cdxml test 0: !found IFD.property.fairspec.compound.id 25 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=25 test 0: !found IFD.property.structure.id 28 test 0: !found IFD.representation.structure.cdxml /28.cdxml test 0: !found IFD.property.fairspec.compound.id 28 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=28 test 0: !found IFD.property.structure.id 33 test 0: !found IFD.representation.structure.cdxml /33.cdxml test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.structure.id 34 test 0: !found IFD.representation.structure.cdxml /34.cdxml test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.structure.id 37 test 0: !found IFD.representation.structure.cdxml /37.cdxml test 0: !found IFD.property.fairspec.compound.id 37 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=37 test 0: !found IFD.property.structure.id 38 test 0: !found IFD.representation.structure.cdxml /38.cdxml test 0: !found IFD.property.fairspec.compound.id 38 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=38 test 0: !found IFD.property.structure.id 39 test 0: !found IFD.representation.structure.cdxml /39.cdxml test 0: !found IFD.property.fairspec.compound.id 39 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=39 test 0: !found IFD.property.structure.id 40 test 0: !found IFD.representation.structure.cdxml /40.cdxml test 0: !found IFD.property.fairspec.compound.id 40 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=40 test 0: !found IFD.property.structure.id 42 test 0: !found IFD.representation.structure.cdxml /42.cdxml test 0: !found IFD.property.fairspec.compound.id 42 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=42 test 0: !found IFD.property.structure.id 46 test 0: !found IFD.representation.structure.cdxml /46.cdxml test 0: !found IFD.property.fairspec.compound.id 46 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=46 test 0: !found IFD.property.structure.id 49 test 0: !found IFD.representation.structure.cdxml /49.cdxml test 0: !found IFD.property.fairspec.compound.id 49 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=49 test 0: !found IFD.property.structure.id 50 test 0: !found IFD.representation.structure.cdxml /50.cdxml test 0: !found IFD.property.fairspec.compound.id 50 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=50 test 0: !found IFD.property.structure.id 53 test 0: !found IFD.representation.structure.cdxml /53.cdxml test 0: !found IFD.property.fairspec.compound.id 53 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=53 test 0: !found IFD.property.structure.id 54 test 0: !found IFD.representation.structure.cdxml /54.cdxml test 0: !found IFD.property.fairspec.compound.id 54 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=54 test 0: !found IFD.property.structure.id 55 test 0: !found IFD.representation.structure.cdxml /55.cdxml test 0: !found IFD.property.fairspec.compound.id 55 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=55 test 0: !found IFD.property.structure.id 56 test 0: !found IFD.representation.structure.cdxml /56.cdxml test 0: !found IFD.property.fairspec.compound.id 56 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=56 test 0: !found IFD.property.structure.id 57 test 0: !found IFD.representation.structure.cdxml /57.cdxml test 0: !found IFD.property.fairspec.compound.id 57 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=57 test 0: !found IFD.property.structure.id 58 test 0: !found IFD.representation.structure.cdxml /58.cdxml test 0: !found IFD.property.fairspec.compound.id 58 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=58 test 0: !found IFD.property.structure.id 60 test 0: !found IFD.representation.structure.cdxml /60.cdxml test 0: !found IFD.property.fairspec.compound.id 60 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=60 test 0: !found IFD.property.structure.id 61 test 0: !found IFD.representation.structure.cdxml /61.cdxml test 0: !found IFD.property.fairspec.compound.id 61 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=61 test 0: !found IFD.property.structure.id 62 test 0: !found IFD.representation.structure.cdxml /62.cdxml test 0: !found IFD.property.fairspec.compound.id 62 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=62 test 0: !found IFD.property.structure.id 65 test 0: !found IFD.representation.structure.cdxml /65.cdxml test 0: !found IFD.property.fairspec.compound.id 65 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=65 test 0: !found IFD.property.structure.id 66 test 0: !found IFD.representation.structure.cdxml /66.cdxml test 0: !found IFD.property.fairspec.compound.id 66 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=66 test 0: !found IFD.property.structure.id 70 test 0: !found IFD.representation.structure.cdxml /70.cdxml test 0: !found IFD.property.fairspec.compound.id 70 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=70 test 0: !found IFD.property.structure.id 73 test 0: !found IFD.representation.structure.cdxml /73.cdxml test 0: !found IFD.property.fairspec.compound.id 73 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=73 test 0: !found IFD.property.structure.id 74 test 0: !found IFD.representation.structure.cdxml /74.cdxml test 0: !found IFD.property.fairspec.compound.id 74 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=74 test 0: !found IFD.property.structure.id 76 test 0: !found IFD.representation.structure.cdxml /76.cdxml test 0: !found IFD.property.fairspec.compound.id 76 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=76 test 0: !Phase 2b found 0 IFD objects test 0: !Phase 2b file:/c:/temp/iupac/henry/v_acs/Archive.tar.gz {compound=IFD.property.fairspec.compound.id::*}{IFD.representation.structure.mol::/{IFD.property.structure.id::*}.mol} test 0: !Phase 2b found 0 IFD objects test 0: !Phase 2b file:/c:/temp/iupac/henry/v_acs/Archive.tar.gz {compound=IFD.property.fairspec.compound.id::*}{IFD.representation.structure.png::/{IFD.property.structure.id::*}.png} test 0: !found IFD.property.structure.id 5 test 0: !found IFD.representation.structure.png /5.png test 0: !found IFD.property.fairspec.compound.id 5 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=5 test 0: !found IFD.property.structure.id 6 test 0: !found IFD.representation.structure.png /6.png test 0: !found IFD.property.fairspec.compound.id 6 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=6 test 0: !found IFD.property.structure.id 8 test 0: !found IFD.representation.structure.png /8.png test 0: !found IFD.property.fairspec.compound.id 8 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=8 test 0: !found IFD.property.structure.id 9 test 0: !found IFD.representation.structure.png /9.png test 0: !found IFD.property.fairspec.compound.id 9 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=9 test 0: !found IFD.property.structure.id 10 test 0: !found IFD.representation.structure.png /10.png test 0: !found IFD.property.fairspec.compound.id 10 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=10 test 0: !found IFD.property.structure.id 11 test 0: !found IFD.representation.structure.png /11.png test 0: !found IFD.property.fairspec.compound.id 11 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=11 test 0: !found IFD.property.structure.id 12 test 0: !found IFD.representation.structure.png /12.png test 0: !found IFD.property.fairspec.compound.id 12 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=12 test 0: !found IFD.property.structure.id 14 test 0: !found IFD.representation.structure.png /14.png test 0: !found IFD.property.fairspec.compound.id 14 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=14 test 0: !found IFD.property.structure.id 15 test 0: !found IFD.representation.structure.png /15.png test 0: !found IFD.property.fairspec.compound.id 15 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=15 test 0: !found IFD.property.structure.id 16 test 0: !found IFD.representation.structure.png /16.png test 0: !found IFD.property.fairspec.compound.id 16 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=16 test 0: !found IFD.property.structure.id 17 test 0: !found IFD.representation.structure.png /17.png test 0: !found IFD.property.fairspec.compound.id 17 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=17 test 0: !found IFD.property.structure.id 18 test 0: !found IFD.representation.structure.png /18.png test 0: !found IFD.property.fairspec.compound.id 18 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=18 test 0: !found IFD.property.structure.id 19 test 0: !found IFD.representation.structure.png /19.png test 0: !found IFD.property.fairspec.compound.id 19 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=19 test 0: !found IFD.property.structure.id 20 test 0: !found IFD.representation.structure.png /20.png test 0: !found IFD.property.fairspec.compound.id 20 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=20 test 0: !found IFD.property.structure.id 21 test 0: !found IFD.representation.structure.png /21.png test 0: !found IFD.property.fairspec.compound.id 21 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=21 test 0: !found IFD.property.structure.id 24 test 0: !found IFD.representation.structure.png /24.png test 0: !found IFD.property.fairspec.compound.id 24 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=24 test 0: !found IFD.property.structure.id 25 test 0: !found IFD.representation.structure.png /25.png test 0: !found IFD.property.fairspec.compound.id 25 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=25 test 0: !found IFD.property.structure.id 28 test 0: !found IFD.representation.structure.png /28.png test 0: !found IFD.property.fairspec.compound.id 28 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=28 test 0: !found IFD.property.structure.id 33 test 0: !found IFD.representation.structure.png /33.png test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.structure.id 34 test 0: !found IFD.representation.structure.png /34.png test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.structure.id 37 test 0: !found IFD.representation.structure.png /37.png test 0: !found IFD.property.fairspec.compound.id 37 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=37 test 0: !found IFD.property.structure.id 38 test 0: !found IFD.representation.structure.png /38.png test 0: !found IFD.property.fairspec.compound.id 38 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=38 test 0: !found IFD.property.structure.id 39 test 0: !found IFD.representation.structure.png /39.png test 0: !found IFD.property.fairspec.compound.id 39 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=39 test 0: !found IFD.property.structure.id 40 test 0: !found IFD.representation.structure.png /40.png test 0: !found IFD.property.fairspec.compound.id 40 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=40 test 0: !found IFD.property.structure.id 42 test 0: !found IFD.representation.structure.png /42.png test 0: !found IFD.property.fairspec.compound.id 42 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=42 test 0: !found IFD.property.structure.id 46 test 0: !found IFD.representation.structure.png /46.png test 0: !found IFD.property.fairspec.compound.id 46 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=46 test 0: !found IFD.property.structure.id 49 test 0: !found IFD.representation.structure.png /49.png test 0: !found IFD.property.fairspec.compound.id 49 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=49 test 0: !found IFD.property.structure.id 50 test 0: !found IFD.representation.structure.png /50.png test 0: !found IFD.property.fairspec.compound.id 50 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=50 test 0: !found IFD.property.structure.id 53 test 0: !found IFD.representation.structure.png /53.png test 0: !found IFD.property.fairspec.compound.id 53 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=53 test 0: !found IFD.property.structure.id 54 test 0: !found IFD.representation.structure.png /54.png test 0: !found IFD.property.fairspec.compound.id 54 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=54 test 0: !found IFD.property.structure.id 55 test 0: !found IFD.representation.structure.png /55.png test 0: !found IFD.property.fairspec.compound.id 55 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=55 test 0: !found IFD.property.structure.id 56 test 0: !found IFD.representation.structure.png /56.png test 0: !found IFD.property.fairspec.compound.id 56 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=56 test 0: !found IFD.property.structure.id 57 test 0: !found IFD.representation.structure.png /57.png test 0: !found IFD.property.fairspec.compound.id 57 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=57 test 0: !found IFD.property.structure.id 58 test 0: !found IFD.representation.structure.png /58.png test 0: !found IFD.property.fairspec.compound.id 58 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=58 test 0: !found IFD.property.structure.id 60 test 0: !found IFD.representation.structure.png /60.png test 0: !found IFD.property.fairspec.compound.id 60 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=60 test 0: !found IFD.property.structure.id 61 test 0: !found IFD.representation.structure.png /61.png test 0: !found IFD.property.fairspec.compound.id 61 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=61 test 0: !found IFD.property.structure.id 62 test 0: !found IFD.representation.structure.png /62.png test 0: !found IFD.property.fairspec.compound.id 62 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=62 test 0: !found IFD.property.structure.id 65 test 0: !found IFD.representation.structure.png /65.png test 0: !found IFD.property.fairspec.compound.id 65 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=65 test 0: !found IFD.property.structure.id 66 test 0: !found IFD.representation.structure.png /66.png test 0: !found IFD.property.fairspec.compound.id 66 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=66 test 0: !found IFD.property.structure.id 70 test 0: !found IFD.representation.structure.png /70.png test 0: !found IFD.property.fairspec.compound.id 70 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=70 test 0: !Phase 2b found 0 IFD objects test 0: !Phase 2b file:/c:/temp/iupac/henry/v_acs/Archive.tar.gz {compound=IFD.property.fairspec.compound.id::*}{IFD.representation.structure.cif::/**/{IFD.property.structure.id::*.cif}} test 0: !found IFD.property.structure.id AB2127_x.cif test 0: !found IFD.representation.structure.cif /5-X-ray/AB2127_x.cif test 0: !found IFD.property.fairspec.compound.id 5 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=5 test 0: !found IFD.property.structure.id AB2238_x.cif test 0: !found IFD.representation.structure.cif /11-X-ray/AB2238_x.cif test 0: !found IFD.property.fairspec.compound.id 11 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=11 test 0: !found IFD.property.structure.id AB2120_x.cif test 0: !found IFD.representation.structure.cif /12-X-ray/AB2120_x.cif test 0: !found IFD.property.fairspec.compound.id 12 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=12 test 0: !found IFD.property.structure.id AB2204_x.cif test 0: !found IFD.representation.structure.cif /14-X-ray/AB2204_x.cif test 0: !found IFD.property.fairspec.compound.id 14 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=14 test 0: !found IFD.property.structure.id AB2118b.cif test 0: !found IFD.representation.structure.cif /15-solvate-X-ray/AB2118b.cif test 0: !found IFD.property.fairspec.compound.id 15 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=15 test 0: !found IFD.property.structure.id AB2111.cif test 0: !found IFD.representation.structure.cif /15-X-ray/AB2111.cif test 0: !found IFD.property.fairspec.compound.id 15 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=15 test 0: !found IFD.property.structure.id AB2116b_x.cif test 0: !found IFD.representation.structure.cif /16-X-ray/AB2116b_x.cif test 0: !found IFD.property.fairspec.compound.id 16 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=16 test 0: !found IFD.property.structure.id AB2221_x.cif test 0: !found IFD.representation.structure.cif /17-X-ray/AB2221_x.cif test 0: !found IFD.property.fairspec.compound.id 17 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=17 test 0: !found IFD.property.structure.id AB2115_x.cif test 0: !found IFD.representation.structure.cif /18-X-ray/AB2115_x.cif test 0: !found IFD.property.fairspec.compound.id 18 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=18 test 0: !found IFD.property.structure.id AB2119_x.cif test 0: !found IFD.representation.structure.cif /19-X-ray/AB2119_x.cif test 0: !found IFD.property.fairspec.compound.id 19 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=19 test 0: !found IFD.property.structure.id AB2117_x.cif test 0: !found IFD.representation.structure.cif /20-X-ray/AB2117_x.cif test 0: !found IFD.property.fairspec.compound.id 20 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=20 test 0: !found IFD.property.structure.id AB2144_x.cif test 0: !found IFD.representation.structure.cif /21-X-ray/AB2144_x.cif test 0: !found IFD.property.fairspec.compound.id 21 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=21 test 0: !found IFD.property.structure.id AB2123_x.cif test 0: !found IFD.representation.structure.cif /24-X-ray/AB2123_x.cif test 0: !found IFD.property.fairspec.compound.id 24 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=24 test 0: !found IFD.property.structure.id AB2141_x.cif test 0: !found IFD.representation.structure.cif /25-X-ray/AB2141_x.cif test 0: !found IFD.property.fairspec.compound.id 25 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=25 test 0: !found IFD.property.structure.id AB2218_x.cif test 0: !found IFD.representation.structure.cif /28-X-ray/AB2218_x.cif test 0: !found IFD.property.fairspec.compound.id 28 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=28 test 0: !found IFD.property.structure.id AB2121_x.cif test 0: !found IFD.representation.structure.cif /33-x-ray/AB2121_x.cif test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.structure.id AB2124_x.cif test 0: !found IFD.representation.structure.cif /34-X-Ray/AB2124_x.cif test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.structure.id AB2149_x.cif test 0: !found IFD.representation.structure.cif /37-X-ray/AB2149_x.cif test 0: !found IFD.property.fairspec.compound.id 37 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=37 test 0: !found IFD.property.structure.id AB2157_x.cif test 0: !found IFD.representation.structure.cif /38-X-ray/AB2157_x.cif test 0: !found IFD.property.fairspec.compound.id 38 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=38 test 0: !found IFD.property.structure.id AB2143_x.cif test 0: !found IFD.representation.structure.cif /39b-X-ray/AB2143_x.cif test 0: !found IFD.property.fairspec.compound.id 39 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=39 test 0: !found IFD.property.structure.id AB2146_x.cif test 0: !found IFD.representation.structure.cif /39-X-ray/AB2146_x.cif test 0: !found IFD.property.fairspec.compound.id 39 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=39 test 0: !found IFD.property.structure.id AB2130_x.cif test 0: !found IFD.representation.structure.cif /40-X-ray/AB2130_x.cif test 0: !found IFD.property.fairspec.compound.id 40 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=40 test 0: !found IFD.property.structure.id AB2207_x.cif test 0: !found IFD.representation.structure.cif /42-X-ray/AB2207_x.cif test 0: !found IFD.property.fairspec.compound.id 42 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=42 test 0: !found IFD.property.structure.id AB2210_x.cif test 0: !found IFD.representation.structure.cif /46-X-ray/AB2210_x.cif test 0: !found IFD.property.fairspec.compound.id 46 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=46 test 0: !found IFD.property.structure.id AB2133b_x.cif test 0: !found IFD.representation.structure.cif /49-X-ray/AB2133b_x.cif test 0: !found IFD.property.fairspec.compound.id 49 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=49 test 0: !found IFD.property.structure.id AB2128_x.cif test 0: !found IFD.representation.structure.cif /50-X-ray/AB2128_x.cif test 0: !found IFD.property.fairspec.compound.id 50 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=50 test 0: !found IFD.property.structure.id AB2208_x.cif test 0: !found IFD.representation.structure.cif /53-X-ray/AB2208_x.cif test 0: !found IFD.property.fairspec.compound.id 53 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=53 test 0: !found IFD.property.structure.id AB2153_x.cif test 0: !found IFD.representation.structure.cif /54-X-ray/AB2153_x.cif test 0: !found IFD.property.fairspec.compound.id 54 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=54 test 0: !found IFD.property.structure.id AB2246_x.cif test 0: !found IFD.representation.structure.cif /55-X-ray/AB2246_x.cif test 0: !found IFD.property.fairspec.compound.id 55 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=55 test 0: !found IFD.property.structure.id AB2226_x.cif test 0: !found IFD.representation.structure.cif /56-X-ray/AB2226_x.cif test 0: !found IFD.property.fairspec.compound.id 56 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=56 test 0: !found IFD.property.structure.id AB2212_x.cif test 0: !found IFD.representation.structure.cif /57-x-ray/AB2212_x.cif test 0: !found IFD.property.fairspec.compound.id 57 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=57 test 0: !found IFD.property.structure.id AB2237_x.cif test 0: !found IFD.representation.structure.cif /58-X-ray/AB2237_x.cif test 0: !found IFD.property.fairspec.compound.id 58 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=58 test 0: !found IFD.property.structure.id AB2241_x.cif test 0: !found IFD.representation.structure.cif /60-X-ray/AB2241_x.cif test 0: !found IFD.property.fairspec.compound.id 60 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=60 test 0: !found IFD.property.structure.id AB2223_x.cif test 0: !found IFD.representation.structure.cif /61-X-Ray/AB2223_x.cif test 0: !found IFD.property.fairspec.compound.id 61 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=61 test 0: !found IFD.property.structure.id AB2151_x.cif test 0: !found IFD.representation.structure.cif /62-X-Ray/AB2151_x.cif test 0: !found IFD.property.fairspec.compound.id 62 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=62 test 0: !found IFD.property.structure.id AB2222_x.cif test 0: !found IFD.representation.structure.cif /65-X-ray/AB2222_x.cif test 0: !found IFD.property.fairspec.compound.id 65 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=65 test 0: !found IFD.property.structure.id AB2202_x.cif test 0: !found IFD.representation.structure.cif /66-X-ray/AB2202_x.cif test 0: !found IFD.property.fairspec.compound.id 66 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=66 test 0: !found IFD.property.structure.id AB2205_x.cif test 0: !found IFD.representation.structure.cif /70-X-ray/AB2205_x.cif test 0: !found IFD.property.fairspec.compound.id 70 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=70 test 0: !found IFD.property.structure.id AB2301.cif test 0: !found IFD.representation.structure.cif /73-x-ray/AB2301.cif test 0: !found IFD.property.fairspec.compound.id 73 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=73 test 0: !found IFD.property.structure.id LBTML2.cif test 0: !found IFD.representation.structure.cif /74-x-ray/LBTML2.cif test 0: !found IFD.property.fairspec.compound.id 74 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=74 test 0: !found IFD.property.structure.id AB2307.cif test 0: !found IFD.representation.structure.cif /75-x-ray/AB2307.cif test 0: !found IFD.property.fairspec.compound.id 75 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=75 test 0: !found IFD.property.structure.id LB-UO2L4.cif test 0: !found IFD.representation.structure.cif /76-x-ray/LB-UO2L4.cif test 0: !found IFD.property.fairspec.compound.id 76 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=76 test 0: !Phase 2b found 0 IFD objects test 0: !Phase 2b file:/c:/temp/iupac/henry/v_acs/Archive.tar.gz {compound=IFD.property.fairspec.compound.id::*}{IFD.representation.structure.cml::/{IFD.property.structure.id::-comp/*}/*.cml} test 0: !found IFD.property.structure.id 56-comp/10311 test 0: !found IFD.representation.structure.cml /56-comp/10311/56.cml test 0: !found IFD.property.fairspec.compound.id 56 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=56 test 0: !found IFD.property.structure.id 56-comp/10323 test 0: !found IFD.representation.structure.cml /56-comp/10323/56.cml test 0: !found IFD.property.fairspec.compound.id 56 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=56 test 0: !found IFD.property.structure.id 56-comp/10292 test 0: !found IFD.representation.structure.cml /56-comp/10292/56.cml test 0: !found IFD.property.fairspec.compound.id 56 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=56 test 0: !Phase 2b found 0 IFD objects test 0: !Phase 2b file:/c:/temp/iupac/henry/v_acs/Archive.tar.gz {compound=IFD.property.fairspec.compound.id::*}{IFD.representation.dataobject.fairspec.comp.input::/{IFD.property.dataobject.id::-comp/*/*}.gjf} test 0: !found IFD.property.dataobject.id 56-comp/10311/56 test 0: !found IFD.representation.dataobject.fairspec.comp.input /56-comp/10311/56.gjf test 0: !found IFD.property.fairspec.compound.id 56 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=56 test 0: !found IFD.property.dataobject.id 56-comp/10323/56 test 0: !found IFD.representation.dataobject.fairspec.comp.input /56-comp/10323/56.gjf test 0: !found IFD.property.fairspec.compound.id 56 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=56 test 0: !found IFD.property.dataobject.id 56-comp/10292/56 test 0: !found IFD.representation.dataobject.fairspec.comp.input /56-comp/10292/56.gjf test 0: !found IFD.property.fairspec.compound.id 56 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=56 test 0: !Phase 2b found 0 IFD objects test 0: !Phase 2b file:/c:/temp/iupac/henry/v_acs/Archive.tar.gz {compound=IFD.property.fairspec.compound.id::*}{IFD.representation.dataobject.fairspec.comp.output::/{IFD.property.dataobject.id::-comp/*/*}.fchk} test 0: !Phase 2b found 0 IFD objects test 0: !Phase 2b file:/c:/temp/iupac/henry/v_acs/Archive.tar.gz {compound=IFD.property.fairspec.compound.id::*}{IFD.representation.dataobject.fairspec.comp.output::/{IFD.property.dataobject.id::-comp/*/*}.log} test 0: !Phase 2b found 0 IFD objects test 0: !Phase 2b file:/c:/temp/iupac/henry/v_acs/Archive.tar.gz {compound=IFD.property.fairspec.compound.id::*}{IFD.representation.dataobject.fairspec.ir.document::/{IFD.property.dataobject.id::*-IR}/*.pdf} test 0: !found IFD.property.dataobject.id 5-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /5-IR/TM-VI-033 cyclized_2021-06-13T11-24-55.pdf test 0: !found IFD.property.fairspec.compound.id 5 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=5 test 0: !found IFD.property.dataobject.id 6-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /6-IR/TM-VI-152, Ph-pyr_2022-07-19T10-50-11.pdf test 0: !found IFD.property.fairspec.compound.id 6 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=6 test 0: !found IFD.property.dataobject.id 8-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /8-IR/TM-VI-15x, PMB-pyr_2022-07-19T10-53-22.pdf test 0: !found IFD.property.fairspec.compound.id 8 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=8 test 0: !found IFD.property.dataobject.id 9-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /9-IR/TM-VI-368, decarb. pmb-pyr_2022-07-19T10-45-41.pdf test 0: !found IFD.property.fairspec.compound.id 9 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=9 test 0: !found IFD.property.dataobject.id 10-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /10-IR/TM-VI-167_2021-11-24T15-43-58.pdf test 0: !found IFD.property.fairspec.compound.id 10 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=10 test 0: !found IFD.property.dataobject.id 11-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /11-IR/TM-VI-251_2022-07-19T17-59-29.pdf test 0: !found IFD.property.fairspec.compound.id 11 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=11 test 0: !found IFD.property.dataobject.id 12-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /12-IR/TM-VI-333_2022-07-21T16-10-23.pdf test 0: !found IFD.property.fairspec.compound.id 12 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=12 test 0: !found IFD.property.dataobject.id 14-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /14-IR/TM-VI-254_2022-07-19T18-02-27.pdf test 0: !found IFD.property.fairspec.compound.id 14 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=14 test 0: !found IFD.property.dataobject.id 15-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /15-IR/TM-VI-112_2021-10-12T12-15-42.pdf test 0: !found IFD.property.fairspec.compound.id 15 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=15 test 0: !found IFD.property.dataobject.id 16-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /16-IR/TM-VI-104solid_2021-10-05T16-20-27.pdf test 0: !found IFD.property.fairspec.compound.id 16 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=16 test 0: !found IFD.property.dataobject.id 17-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /17-IR/TM-VI-169_2021-11-24T15-46-52.pdf test 0: !found IFD.property.fairspec.compound.id 17 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=17 test 0: !found IFD.property.dataobject.id 18-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /18-IR/TM-VI-106solid_2021-10-05T17-03-04.pdf test 0: !found IFD.property.fairspec.compound.id 18 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=18 test 0: !found IFD.property.dataobject.id 19-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /19-IR/TM-VI-108solid_2021-10-06T16-15-46.pdf test 0: !found IFD.property.fairspec.compound.id 19 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=19 test 0: !found IFD.property.dataobject.id 20-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /20-IR/TM-VI-107solid_2021-10-06T16-12-26.pdf test 0: !found IFD.property.fairspec.compound.id 20 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=20 test 0: !found IFD.property.dataobject.id 21-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /21-IR/21-IR.pdf test 0: !found IFD.property.fairspec.compound.id 21 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=21 test 0: !found IFD.property.dataobject.id 24-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /24-IR/TM-VI-136_2021-10-26T14-17-31.pdf test 0: !found IFD.property.fairspec.compound.id 24 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=24 test 0: !found IFD.property.dataobject.id 25-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /25-IR/TM-VI-171_2021-11-24T15-53-04.pdf test 0: !found IFD.property.fairspec.compound.id 25 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=25 test 0: !found IFD.property.dataobject.id 28-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /28-IR/TM-VI-273_2022-02-21T17-08-44.pdf test 0: !found IFD.property.fairspec.compound.id 28 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=28 test 0: !found IFD.property.dataobject.id 33-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /33-IR/TM-VI-138_2021-10-27T13-33-21.pdf test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 34-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /34-IR/TM-VI-137_2021-10-27T13-30-32.pdf test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 37-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /37-IR/TM-VI-212_2021-12-20T14-17-29.pdf test 0: !found IFD.property.fairspec.compound.id 37 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=37 test 0: !found IFD.property.dataobject.id 38-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /38-IR/TM-VI-213_2021-12-20T14-20-32.pdf test 0: !found IFD.property.fairspec.compound.id 38 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=38 test 0: !found IFD.property.dataobject.id 39-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /39-IR/TM-VI-156_2021-11-10T17-10-21.pdf test 0: !found IFD.property.fairspec.compound.id 39 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=39 test 0: !found IFD.property.dataobject.id 40-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /40-IR/TM-VI-158_2021-11-24T14-59-16.pdf test 0: !found IFD.property.fairspec.compound.id 40 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=40 test 0: !found IFD.property.dataobject.id 42-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /42-IR/TM-VI-228_2022-01-21T15-46-06.pdf test 0: !found IFD.property.fairspec.compound.id 42 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=42 test 0: !found IFD.property.dataobject.id 46-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /46-IR/TM-VI-232_2022-01-21T17-56-19.pdf test 0: !found IFD.property.fairspec.compound.id 46 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=46 test 0: !found IFD.property.dataobject.id 49-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /49-IR/TM-VI-146-repeat_2021-11-10T16-42-37.pdf test 0: !found IFD.property.fairspec.compound.id 49 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=49 test 0: !found IFD.property.dataobject.id 49-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /49-IR/TM-VI-146-original_2021-11-10T16-39-21.pdf test 0: !found IFD.property.fairspec.compound.id 49 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=49 test 0: !found IFD.property.dataobject.id 50-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /50-IR/TM-VI-147_2021-11-10T16-45-51.pdf test 0: !found IFD.property.fairspec.compound.id 50 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=50 test 0: !found IFD.property.dataobject.id 53-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /53-IR/TM-VI-192_2021-12-05T18-25-32.pdf test 0: !found IFD.property.fairspec.compound.id 53 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=53 test 0: !found IFD.property.dataobject.id 54-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /54-IR/TM-VI-195_2021-12-05T18-29-03.pdf test 0: !found IFD.property.fairspec.compound.id 54 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=54 test 0: !found IFD.property.dataobject.id 55-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /55-IR/TM-VI-196_2021-12-05T18-31-20.pdf test 0: !found IFD.property.fairspec.compound.id 55 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=55 test 0: !found IFD.property.dataobject.id 56-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /56-IR/TM-VI-198_2021-12-05T18-33-44.pdf test 0: !found IFD.property.fairspec.compound.id 56 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=56 test 0: !found IFD.property.dataobject.id 57-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /57-IR/TM-VI-202_2021-12-05T19-12-49.pdf test 0: !found IFD.property.fairspec.compound.id 57 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=57 test 0: !found IFD.property.dataobject.id 58-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /58-IR/TM-VI-203_2021-12-05T19-15-17.pdf test 0: !found IFD.property.fairspec.compound.id 58 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=58 test 0: !found IFD.property.dataobject.id 60-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /60-IR/TM-VI-205_2021-12-20T14-07-11.pdf test 0: !found IFD.property.fairspec.compound.id 60 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=60 test 0: !found IFD.property.dataobject.id 61-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /61-IR/TM-VI-191_2021-12-05T18-21-45.pdf test 0: !found IFD.property.fairspec.compound.id 61 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=61 test 0: !found IFD.property.dataobject.id 62-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /62-IR/TM-VI-199_2021-12-05T18-36-17.pdf test 0: !found IFD.property.fairspec.compound.id 62 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=62 test 0: !found IFD.property.dataobject.id 65-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /65-IR/TM-VI-223_2022-01-21T15-36-49.pdf test 0: !found IFD.property.fairspec.compound.id 65 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=65 test 0: !found IFD.property.dataobject.id 66-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /66-IR/TM-VI-224_2021-12-20T14-47-43.pdf test 0: !found IFD.property.fairspec.compound.id 66 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=66 test 0: !found IFD.property.dataobject.id 70-IR test 0: !found IFD.representation.dataobject.fairspec.ir.document /70-IR/TM-VI-209_2021-12-13T15-09-54.pdf test 0: !found IFD.property.fairspec.compound.id 70 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=70 test 0: !Phase 2b found 0 IFD objects test 0: !Phase 2b file:/c:/temp/iupac/henry/v_acs/Archive.tar.gz {compound=IFD.property.fairspec.compound.id::*}{IFD.representation.dataobject.fairspec.nmr.vendor_dataset::/**/{IFD.property.dataobject.id::*.mnova}} test 0: !found IFD.property.dataobject.id 5-1H in CD3OD.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /5-1H in CD3OD/5-1H in CD3OD.mnova test 0: !found IFD.property.fairspec.compound.id 5 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=5 test 0: !found IFD.property.dataobject.id 5-13C in CD3OD.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /5-13C in CD3OD/5-13C in CD3OD.mnova test 0: !found IFD.property.fairspec.compound.id 5 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=5 test 0: !found IFD.property.dataobject.id 5-1H in dmso-d6.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /5-1H in dmso-d6/5-1H in dmso-d6.mnova test 0: !found IFD.property.fairspec.compound.id 5 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=5 test 0: !found IFD.property.dataobject.id 5-in dmso-d6.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /5-13C in dmso-d6/5-in dmso-d6.mnova test 0: !found IFD.property.fairspec.compound.id 5 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=5 test 0: !found IFD.property.dataobject.id 6-hsqc in CDCl3.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /6-hsqc in CDCl3/6-hsqc in CDCl3.mnova test 0: !found IFD.property.fairspec.compound.id 6 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=6 test 0: !found IFD.property.dataobject.id 6-hmbc in CDCl3.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /6-hmbc in CDCl3/6-hmbc in CDCl3.mnova test 0: !found IFD.property.fairspec.compound.id 6 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=6 test 0: !found IFD.property.dataobject.id 6-1H in CDCl3.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /6-1H in CDCl3/6-1H in CDCl3.mnova test 0: !found IFD.property.fairspec.compound.id 6 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=6 test 0: !found IFD.property.dataobject.id 6-1H in CD3OD.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /6-1H in CD3OD/6-1H in CD3OD.mnova test 0: !found IFD.property.fairspec.compound.id 6 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=6 test 0: !found IFD.property.dataobject.id 6-13C in CDCl3.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /6-13C in CDCl3/6-13C in CDCl3.mnova test 0: !found IFD.property.fairspec.compound.id 6 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=6 test 0: !found IFD.property.dataobject.id 6-13C in CD3OD.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /6-13C in CD3OD/6-13C in CD3OD.mnova test 0: !found IFD.property.fairspec.compound.id 6 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=6 test 0: !found IFD.property.dataobject.id 6-cosy in CDCl3.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /6-cosy in CDCl3/6-cosy in CDCl3.mnova test 0: !found IFD.property.fairspec.compound.id 6 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=6 test 0: !found IFD.property.dataobject.id 8-13C in CD3OD.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /8-13C in CD3OD/8-13C in CD3OD.mnova test 0: !found IFD.property.fairspec.compound.id 8 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=8 test 0: !found IFD.property.dataobject.id 8-13C in CDCl3.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /8-13C in CDCl3/8-13C in CDCl3.mnova test 0: !found IFD.property.fairspec.compound.id 8 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=8 test 0: !found IFD.property.dataobject.id 8-hmbc in CDCl3.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /8-hmbc in CDCl3/8-hmbc in CDCl3.mnova test 0: !found IFD.property.fairspec.compound.id 8 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=8 test 0: !found IFD.property.dataobject.id 8-hmqc in CDCl3.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /8-hmqc in CDCl3/8-hmqc in CDCl3.mnova test 0: !found IFD.property.fairspec.compound.id 8 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=8 test 0: !found IFD.property.dataobject.id 8-1H in CD3OD.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /8-1H in CD3OD/8-1H in CD3OD.mnova test 0: !found IFD.property.fairspec.compound.id 8 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=8 test 0: !found IFD.property.dataobject.id 8-1H in CDCl3.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /8-1H in CDCl3/8-1H in CDCl3.mnova test 0: !found IFD.property.fairspec.compound.id 8 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=8 test 0: !found IFD.property.dataobject.id 9-keto form 1H.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /9-keto-1H/9-keto form 1H.mnova test 0: !found IFD.property.fairspec.compound.id 9 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=9 test 0: !found IFD.property.dataobject.id 9-enol form cosy.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /9-enol-cosy/9-enol form cosy.mnova test 0: !found IFD.property.fairspec.compound.id 9 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=9 test 0: !found IFD.property.dataobject.id 9-enol form hmqc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /9-enol-HMQC/9-enol form hmqc.mnova test 0: !found IFD.property.fairspec.compound.id 9 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=9 test 0: !found IFD.property.dataobject.id 9-enol form 1H.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /9-enol-1H/9-enol form 1H.mnova test 0: !found IFD.property.fairspec.compound.id 9 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=9 test 0: !found IFD.property.dataobject.id 9-keto form 13C.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /9-keto-13C/9-keto form 13C.mnova test 0: !found IFD.property.fairspec.compound.id 9 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=9 test 0: !found IFD.property.dataobject.id 9-enol form 13C.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /9-enol-13C/9-enol form 13C.mnova test 0: !found IFD.property.fairspec.compound.id 9 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=9 test 0: !found IFD.property.dataobject.id 9-enol form hmbc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /9-enol-HMBC/9-enol form hmbc.mnova test 0: !found IFD.property.fairspec.compound.id 9 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=9 test 0: !found IFD.property.dataobject.id 10-hmqc in CDCl3.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /10-hmqc in CDCl3/10-hmqc in CDCl3.mnova test 0: !found IFD.property.fairspec.compound.id 10 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=10 test 0: !found IFD.property.dataobject.id 10-hmbc in CDCl3.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /10-hmbc in CDCl3/10-hmbc in CDCl3.mnova test 0: !found IFD.property.fairspec.compound.id 10 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=10 test 0: !found IFD.property.dataobject.id 10-13C in CD3OD.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /10-13C in CD3OD/10-13C in CD3OD.mnova test 0: !found IFD.property.fairspec.compound.id 10 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=10 test 0: !found IFD.property.dataobject.id 10-13C in CDCl3.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /10-13C in CDCl3/10-13C in CDCl3.mnova test 0: !found IFD.property.fairspec.compound.id 10 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=10 test 0: !found IFD.property.dataobject.id 10-1H in CDCl3.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /10-1H in CDCl3/10-1H in CDCl3.mnova test 0: !found IFD.property.fairspec.compound.id 10 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=10 test 0: !found IFD.property.dataobject.id 10-1H in CD3OD.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /10-1H in CD3OD/10-1H in CD3OD.mnova test 0: !found IFD.property.fairspec.compound.id 10 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=10 test 0: !found IFD.property.dataobject.id 10-cosy in CDCl3.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /10-cosy in CDCl3/10-cosy in CDCl3.mnova test 0: !found IFD.property.fairspec.compound.id 10 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=10 test 0: !found IFD.property.dataobject.id 11-13C.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /11-13C/11-13C.mnova test 0: !found IFD.property.fairspec.compound.id 11 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=11 test 0: !found IFD.property.dataobject.id 11-hmbc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /11-hmbc/11-hmbc.mnova test 0: !found IFD.property.fairspec.compound.id 11 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=11 test 0: !found IFD.property.dataobject.id 11-hsqc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /11-hsqc/11-hsqc.mnova test 0: !found IFD.property.fairspec.compound.id 11 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=11 test 0: !found IFD.property.dataobject.id 11-1H.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /11-1H/11-1H.mnova test 0: !found IFD.property.fairspec.compound.id 11 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=11 test 0: !found IFD.property.dataobject.id 12-13C.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /12-13C/12-13C.mnova test 0: !found IFD.property.fairspec.compound.id 12 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=12 test 0: !found IFD.property.dataobject.id 12-1H.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /12-1H/12-1H.mnova test 0: !found IFD.property.fairspec.compound.id 12 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=12 test 0: !found IFD.property.dataobject.id 12-hsqc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /12-hsqc/12-hsqc.mnova test 0: !found IFD.property.fairspec.compound.id 12 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=12 test 0: !found IFD.property.dataobject.id 12-hmbc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /12-hmbc/12-hmbc.mnova test 0: !found IFD.property.fairspec.compound.id 12 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=12 test 0: !found IFD.property.dataobject.id 14-13C.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /14-13C/14-13C.mnova test 0: !found IFD.property.fairspec.compound.id 14 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=14 test 0: !found IFD.property.dataobject.id 14-hmbc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /14-hmbc/14-hmbc.mnova test 0: !found IFD.property.fairspec.compound.id 14 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=14 test 0: !found IFD.property.dataobject.id 14-hsqc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /14-hsqc/14-hsqc.mnova test 0: !found IFD.property.fairspec.compound.id 14 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=14 test 0: !found IFD.property.dataobject.id 14-1H.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /14-1H/14-1H.mnova test 0: !found IFD.property.fairspec.compound.id 14 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=14 test 0: !found IFD.property.dataobject.id 15b.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /15-13C/15b.mnova test 0: !found IFD.property.fairspec.compound.id 15 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=15 test 0: !found IFD.property.dataobject.id 15b-13C.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /15-13C/15b-13C.mnova test 0: !found IFD.property.fairspec.compound.id 15 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=15 test 0: !found IFD.property.dataobject.id 15b-1H.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /15-1H/15b-1H.mnova test 0: !found IFD.property.fairspec.compound.id 15 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=15 test 0: !found IFD.property.dataobject.id 16-hsqc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /16-hsqc/16-hsqc.mnova test 0: !found IFD.property.fairspec.compound.id 16 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=16 test 0: !found IFD.property.dataobject.id 16-13C.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /16-13C/16-13C.mnova test 0: !found IFD.property.fairspec.compound.id 16 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=16 test 0: !found IFD.property.dataobject.id 16-1H.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /16-1H/16-1H.mnova test 0: !found IFD.property.fairspec.compound.id 16 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=16 test 0: !found IFD.property.dataobject.id 16-hmbc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /16-hmbc/16-hmbc.mnova test 0: !found IFD.property.fairspec.compound.id 16 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=16 test 0: !found IFD.property.dataobject.id 17-1H.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /17-1H/17-1H.mnova test 0: !found IFD.property.fairspec.compound.id 17 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=17 test 0: !found IFD.property.dataobject.id 17-13C.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /17-13C/17-13C.mnova test 0: !found IFD.property.fairspec.compound.id 17 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=17 test 0: !found IFD.property.dataobject.id 17-hsqc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /17-hsqc/17-hsqc.mnova test 0: !found IFD.property.fairspec.compound.id 17 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=17 test 0: !found IFD.property.dataobject.id 17-hmbc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /17-hmbc/17-hmbc.mnova test 0: !found IFD.property.fairspec.compound.id 17 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=17 test 0: !found IFD.property.dataobject.id 18-1H.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /18-1H/18-1H.mnova test 0: !found IFD.property.fairspec.compound.id 18 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=18 test 0: !found IFD.property.dataobject.id 18-hmbc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /18-hmbc/18-hmbc.mnova test 0: !found IFD.property.fairspec.compound.id 18 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=18 test 0: !found IFD.property.dataobject.id 18-13C.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /18-13C/18-13C.mnova test 0: !found IFD.property.fairspec.compound.id 18 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=18 test 0: !found IFD.property.dataobject.id 18-hsqc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /18-hsqc/18-hsqc.mnova test 0: !found IFD.property.fairspec.compound.id 18 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=18 test 0: !found IFD.property.dataobject.id 19-1H.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /19-1H/19-1H.mnova test 0: !found IFD.property.fairspec.compound.id 19 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=19 test 0: !found IFD.property.dataobject.id 19-hmbc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /19-hmbc/19-hmbc.mnova test 0: !found IFD.property.fairspec.compound.id 19 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=19 test 0: !found IFD.property.dataobject.id 19-13C.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /19-13C/19-13C.mnova test 0: !found IFD.property.fairspec.compound.id 19 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=19 test 0: !found IFD.property.dataobject.id 19-hsqc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /19-hsqc/19-hsqc.mnova test 0: !found IFD.property.fairspec.compound.id 19 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=19 test 0: !found IFD.property.dataobject.id 20-hsqc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /20-hsqc/20-hsqc.mnova test 0: !found IFD.property.fairspec.compound.id 20 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=20 test 0: !found IFD.property.dataobject.id 20-hmbc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /20-hmbc/20-hmbc.mnova test 0: !found IFD.property.fairspec.compound.id 20 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=20 test 0: !found IFD.property.dataobject.id 20-13C.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /20-13C/20-13C.mnova test 0: !found IFD.property.fairspec.compound.id 20 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=20 test 0: !found IFD.property.dataobject.id 20-1H.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /20-1H/20-1H.mnova test 0: !found IFD.property.fairspec.compound.id 20 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=20 test 0: !found IFD.property.dataobject.id 21-hsqc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /21-hsqc/21-hsqc.mnova test 0: !found IFD.property.fairspec.compound.id 21 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=21 test 0: !found IFD.property.dataobject.id 21-hmbc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /21-hmbc/21-hmbc.mnova test 0: !found IFD.property.fairspec.compound.id 21 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=21 test 0: !found IFD.property.dataobject.id 21-1H.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /21-1H/21-1H.mnova test 0: !found IFD.property.fairspec.compound.id 21 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=21 test 0: !found IFD.property.dataobject.id 21-13C.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /21-13C/21-13C.mnova test 0: !found IFD.property.fairspec.compound.id 21 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=21 test 0: !found IFD.property.dataobject.id 24-hsqc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /24-hsqc/24-hsqc.mnova test 0: !found IFD.property.fairspec.compound.id 24 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=24 test 0: !found IFD.property.dataobject.id 24-13C.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /24-13C/24-13C.mnova test 0: !found IFD.property.fairspec.compound.id 24 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=24 test 0: !found IFD.property.dataobject.id 24-1H.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /24-1H/24-1H.mnova test 0: !found IFD.property.fairspec.compound.id 24 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=24 test 0: !found IFD.property.dataobject.id 24-hmbc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /24-hmbc/24-hmbc.mnova test 0: !found IFD.property.fairspec.compound.id 24 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=24 test 0: !found IFD.property.dataobject.id 25-hsqc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /25-hsqc/25-hsqc.mnova test 0: !found IFD.property.fairspec.compound.id 25 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=25 test 0: !found IFD.property.dataobject.id 25-13C.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /25-13C/25-13C.mnova test 0: !found IFD.property.fairspec.compound.id 25 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=25 test 0: !found IFD.property.dataobject.id 25-hmbc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /25-hmbc/25-hmbc.mnova test 0: !found IFD.property.fairspec.compound.id 25 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=25 test 0: !found IFD.property.dataobject.id 25-1H.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /25-1H/25-1H.mnova test 0: !found IFD.property.fairspec.compound.id 25 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=25 test 0: !found IFD.property.dataobject.id 28-13C.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /28-13C/28-13C.mnova test 0: !found IFD.property.fairspec.compound.id 28 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=28 test 0: !found IFD.property.dataobject.id 28-1H.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /28-1H/28-1H.mnova test 0: !found IFD.property.fairspec.compound.id 28 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=28 test 0: !found IFD.property.dataobject.id 28-hsqc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /28-hsqc/28-hsqc.mnova test 0: !found IFD.property.fairspec.compound.id 28 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=28 test 0: !found IFD.property.dataobject.id 28-hmbc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /28-hmbc/28-hmbc.mnova test 0: !found IFD.property.fairspec.compound.id 28 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=28 test 0: !found IFD.property.dataobject.id 33-in CDCl3 cosy.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.mnova test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 33-in CDCl3 hmqc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-CDCl3/33-in CDCl3 hmqc/33-in CDCl3 hmqc.mnova test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 33-in CDCl3 1H.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.mnova test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 33-in CDCl3 13C.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.mnova test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 33-in CDCl3 hmbc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.mnova test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 33-in acetone-d6 hmqc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-acetone-d6/33-in acetone-d6 hmqc/33-in acetone-d6 hmqc.mnova test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 33-in acetone-d6 1H.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.mnova test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 33-in acetone-d6 hmbc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.mnova test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 33-in acetone-d6 13C.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.mnova test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 34-in CDCl3 cosy.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.mnova test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 34-in CDCl3 1H.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.mnova test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 34-in CDCl3 hsqc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-CDCl3/34-in CDCl3 hsqc/34-in CDCl3 hsqc.mnova test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 34-in CDCl3 13C.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.mnova test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 34-in CDCl3 hmbc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.mnova test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 34-in acetone-d6 hsqc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-acetone-d6/34-in acetone-d6 hsqc/34-in acetone-d6 hsqc.mnova test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 34-in acetone-d6 hmbc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-acetone-d6/34-in acetone-d6 hmbc/34-in acetone-d6 hmbc.mnova test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 34-in acetone-d6 1H.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.mnova test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 34-in acetone-d6 13C.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.mnova test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 37-1H.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /37-1H/37-1H.mnova test 0: !found IFD.property.fairspec.compound.id 37 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=37 test 0: !found IFD.property.dataobject.id 37-hmqc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /37-hsqc/37-hmqc.mnova test 0: !found IFD.property.fairspec.compound.id 37 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=37 test 0: !found IFD.property.dataobject.id 37-hmbc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /37-hmbc/37-hmbc.mnova test 0: !found IFD.property.fairspec.compound.id 37 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=37 test 0: !found IFD.property.dataobject.id 37-cosy.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /37-cosy/37-cosy.mnova test 0: !found IFD.property.fairspec.compound.id 37 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=37 test 0: !found IFD.property.dataobject.id 37-13C.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /37-13C/37-13C.mnova test 0: !found IFD.property.fairspec.compound.id 37 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=37 test 0: !found IFD.property.dataobject.id 38-13C.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /38-13C/38-13C.mnova test 0: !found IFD.property.fairspec.compound.id 38 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=38 test 0: !found IFD.property.dataobject.id 38-1H.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /38-1H/38-1H.mnova test 0: !found IFD.property.fairspec.compound.id 38 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=38 test 0: !found IFD.property.dataobject.id 38-cosy.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /38-cosy/38-cosy.mnova test 0: !found IFD.property.fairspec.compound.id 38 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=38 test 0: !found IFD.property.dataobject.id 38-hmqc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /38-hmqc/38-hmqc.mnova test 0: !found IFD.property.fairspec.compound.id 38 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=38 test 0: !found IFD.property.dataobject.id 38-hmbc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /38-hmbc/38-hmbc.mnova test 0: !found IFD.property.fairspec.compound.id 38 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=38 test 0: !found IFD.property.dataobject.id 39-13C.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /39-13C/39-13C.mnova test 0: !found IFD.property.fairspec.compound.id 39 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=39 test 0: !found IFD.property.dataobject.id 39-hmqc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /39-hmqc/39-hmqc.mnova test 0: !found IFD.property.fairspec.compound.id 39 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=39 test 0: !found IFD.property.dataobject.id 39-cosy.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /39-cosy/39-cosy.mnova test 0: !found IFD.property.fairspec.compound.id 39 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=39 test 0: !found IFD.property.dataobject.id 39-1H.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /39-1H/39-1H.mnova test 0: !found IFD.property.fairspec.compound.id 39 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=39 test 0: !found IFD.property.dataobject.id 39-hmbc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /39-hmbc/39-hmbc.mnova test 0: !found IFD.property.fairspec.compound.id 39 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=39 test 0: !found IFD.property.dataobject.id 40-hmbc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /40-hmbc/40-hmbc.mnova test 0: !found IFD.property.fairspec.compound.id 40 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=40 test 0: !found IFD.property.dataobject.id 40-hmqc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /40-hmqc/40-hmqc.mnova test 0: !found IFD.property.fairspec.compound.id 40 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=40 test 0: !found IFD.property.dataobject.id 40-cosy.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /40-cosy/40-cosy.mnova test 0: !found IFD.property.fairspec.compound.id 40 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=40 test 0: !found IFD.property.dataobject.id 40-13C.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /40-13C/40-13C.mnova test 0: !found IFD.property.fairspec.compound.id 40 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=40 test 0: !found IFD.property.dataobject.id 40-1H.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /40-1H/40-1H.mnova test 0: !found IFD.property.fairspec.compound.id 40 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=40 test 0: !found IFD.property.dataobject.id 49-13C.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /49-13C/49-13C.mnova test 0: !found IFD.property.fairspec.compound.id 49 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=49 test 0: !found IFD.property.dataobject.id 49-1H.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /49-1H/49-1H.mnova test 0: !found IFD.property.fairspec.compound.id 49 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=49 test 0: !found IFD.property.dataobject.id 49-hsqc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /49-hsqc/49-hsqc.mnova test 0: !found IFD.property.fairspec.compound.id 49 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=49 test 0: !found IFD.property.dataobject.id 49-hmbc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /49-hmbc/49-hmbc.mnova test 0: !found IFD.property.fairspec.compound.id 49 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=49 test 0: !found IFD.property.dataobject.id 50-hmbc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /50-hmbc/50-hmbc.mnova test 0: !found IFD.property.fairspec.compound.id 50 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=50 test 0: !found IFD.property.dataobject.id 50-hsqc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /50-hsqc/50-hsqc.mnova test 0: !found IFD.property.fairspec.compound.id 50 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=50 test 0: !found IFD.property.dataobject.id 50-13C.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /50-13C/50-13C.mnova test 0: !found IFD.property.fairspec.compound.id 50 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=50 test 0: !found IFD.property.dataobject.id 50-1H.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /50-1H/50-1H.mnova test 0: !found IFD.property.fairspec.compound.id 50 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=50 test 0: !found IFD.property.dataobject.id 61-13C.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /61-13C/61-13C.mnova test 0: !found IFD.property.fairspec.compound.id 61 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=61 test 0: !found IFD.property.dataobject.id 61-hmbc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /61-hmbc/61-hmbc.mnova test 0: !found IFD.property.fairspec.compound.id 61 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=61 test 0: !found IFD.property.dataobject.id 61-hmqc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /61-hmqc/61-hmqc.mnova test 0: !found IFD.property.fairspec.compound.id 61 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=61 test 0: !found IFD.property.dataobject.id 61-cosy.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /61-cosy/61-cosy.mnova test 0: !found IFD.property.fairspec.compound.id 61 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=61 test 0: !found IFD.property.dataobject.id 61-1H.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /61-1H/61-1H.mnova test 0: !found IFD.property.fairspec.compound.id 61 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=61 test 0: !found IFD.property.dataobject.id 62-1H.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /62-1H/62-1H.mnova test 0: !found IFD.property.fairspec.compound.id 62 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=62 test 0: !found IFD.property.dataobject.id 62-hmqc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /62-hmqc/62-hmqc.mnova test 0: !found IFD.property.fairspec.compound.id 62 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=62 test 0: !found IFD.property.dataobject.id 62-cosy.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /62-cosy/62-cosy.mnova test 0: !found IFD.property.fairspec.compound.id 62 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=62 test 0: !found IFD.property.dataobject.id 62-13C.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /62-13C/62-13C.mnova test 0: !found IFD.property.fairspec.compound.id 62 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=62 test 0: !found IFD.property.dataobject.id 62-hmbc.mnova test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /62-hmbc/62-hmbc.mnova test 0: !found IFD.property.fairspec.compound.id 62 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=62 test 0: !Phase 2b found 0 IFD objects test 0: !Phase 2b file:/c:/temp/iupac/henry/v_acs/Archive.tar.gz {compound=IFD.property.fairspec.compound.id::*}{IFD.representation.dataobject.fairspec.nmr.vendor_dataset::/**/{IFD.property.dataobject.id::*}.jdx} test 0: !found IFD.property.dataobject.id 5-1H in CD3OD test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /5-1H in CD3OD/5-1H in CD3OD.jdx test 0: !found IFD.property.fairspec.compound.id 5 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=5 test 0: !found IFD.property.dataobject.id 5-13C in CD3OD test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /5-13C in CD3OD/5-13C in CD3OD.jdx test 0: !found IFD.property.fairspec.compound.id 5 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=5 test 0: !found IFD.property.dataobject.id 5-1H in dmso-d6 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /5-1H in dmso-d6/5-1H in dmso-d6.jdx test 0: !found IFD.property.fairspec.compound.id 5 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=5 test 0: !found IFD.property.dataobject.id 5-13C in dmso-d6 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /5-13C in dmso-d6/5-13C in dmso-d6.jdx test 0: !found IFD.property.fairspec.compound.id 5 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=5 test 0: !found IFD.property.dataobject.id 6-hsqc in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /6-hsqc in CDCl3/6-hsqc in CDCl3.jdx test 0: !found IFD.property.fairspec.compound.id 6 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=6 test 0: !found IFD.property.dataobject.id 6-hmbc in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /6-hmbc in CDCl3/6-hmbc in CDCl3.jdx test 0: !found IFD.property.fairspec.compound.id 6 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=6 test 0: !found IFD.property.dataobject.id 6-1H in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /6-1H in CDCl3/6-1H in CDCl3.jdx test 0: !found IFD.property.fairspec.compound.id 6 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=6 test 0: !found IFD.property.dataobject.id 6-1H in CD3OD test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /6-1H in CD3OD/6-1H in CD3OD.jdx test 0: !found IFD.property.fairspec.compound.id 6 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=6 test 0: !found IFD.property.dataobject.id 6-13C in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /6-13C in CDCl3/6-13C in CDCl3.jdx test 0: !found IFD.property.fairspec.compound.id 6 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=6 test 0: !found IFD.property.dataobject.id 6-13C in CD3OD test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /6-13C in CD3OD/6-13C in CD3OD.jdx test 0: !found IFD.property.fairspec.compound.id 6 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=6 test 0: !found IFD.property.dataobject.id 6-cosy in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /6-cosy in CDCl3/6-cosy in CDCl3.jdx test 0: !found IFD.property.fairspec.compound.id 6 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=6 test 0: !found IFD.property.dataobject.id 8-13C in CD3OD test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /8-13C in CD3OD/8-13C in CD3OD.jdx test 0: !found IFD.property.fairspec.compound.id 8 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=8 test 0: !found IFD.property.dataobject.id 8-13C in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /8-13C in CDCl3/8-13C in CDCl3.jdx test 0: !found IFD.property.fairspec.compound.id 8 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=8 test 0: !found IFD.property.dataobject.id 8-hmbc in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /8-hmbc in CDCl3/8-hmbc in CDCl3.jdx test 0: !found IFD.property.fairspec.compound.id 8 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=8 test 0: !found IFD.property.dataobject.id 8-hmqc in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /8-hmqc in CDCl3/8-hmqc in CDCl3.jdx test 0: !found IFD.property.fairspec.compound.id 8 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=8 test 0: !found IFD.property.dataobject.id 8-1H in CD3OD test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /8-1H in CD3OD/8-1H in CD3OD.jdx test 0: !found IFD.property.fairspec.compound.id 8 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=8 test 0: !found IFD.property.dataobject.id 8-1H in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /8-1H in CDCl3/8-1H in CDCl3.jdx test 0: !found IFD.property.fairspec.compound.id 8 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=8 test 0: !found IFD.property.dataobject.id 9-keto form 1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /9-keto-1H/9-keto form 1H.jdx test 0: !found IFD.property.fairspec.compound.id 9 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=9 test 0: !found IFD.property.dataobject.id 9-enol form cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /9-enol-cosy/9-enol form cosy.jdx test 0: !found IFD.property.fairspec.compound.id 9 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=9 test 0: !found IFD.property.dataobject.id 9-enol form hmqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /9-enol-HMQC/9-enol form hmqc.jdx test 0: !found IFD.property.fairspec.compound.id 9 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=9 test 0: !found IFD.property.dataobject.id 9-enol form 1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /9-enol-1H/9-enol form 1H.jdx test 0: !found IFD.property.fairspec.compound.id 9 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=9 test 0: !found IFD.property.dataobject.id 9-keto form 13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /9-keto-13C/9-keto form 13C.jdx test 0: !found IFD.property.fairspec.compound.id 9 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=9 test 0: !found IFD.property.dataobject.id 9-enol form 13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /9-enol-13C/9-enol form 13C.jdx test 0: !found IFD.property.fairspec.compound.id 9 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=9 test 0: !found IFD.property.dataobject.id 9-enol form hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /9-enol-HMBC/9-enol form hmbc.jdx test 0: !found IFD.property.fairspec.compound.id 9 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=9 test 0: !found IFD.property.dataobject.id 10-hmqc in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /10-hmqc in CDCl3/10-hmqc in CDCl3.jdx test 0: !found IFD.property.fairspec.compound.id 10 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=10 test 0: !found IFD.property.dataobject.id 10-hmbc in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /10-hmbc in CDCl3/10-hmbc in CDCl3.jdx test 0: !found IFD.property.fairspec.compound.id 10 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=10 test 0: !found IFD.property.dataobject.id 10-13C in CD3OD test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /10-13C in CD3OD/10-13C in CD3OD.jdx test 0: !found IFD.property.fairspec.compound.id 10 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=10 test 0: !found IFD.property.dataobject.id 10-13C in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /10-13C in CDCl3/10-13C in CDCl3.jdx test 0: !found IFD.property.fairspec.compound.id 10 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=10 test 0: !found IFD.property.dataobject.id 10-1H in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /10-1H in CDCl3/10-1H in CDCl3.jdx test 0: !found IFD.property.fairspec.compound.id 10 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=10 test 0: !found IFD.property.dataobject.id 10-1H in CD3OD test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /10-1H in CD3OD/10-1H in CD3OD.jdx test 0: !found IFD.property.fairspec.compound.id 10 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=10 test 0: !found IFD.property.dataobject.id 10-cosy in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /10-cosy in CDCl3/10-cosy in CDCl3.jdx test 0: !found IFD.property.fairspec.compound.id 10 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=10 test 0: !found IFD.property.dataobject.id 11-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /11-13C/11-13C.jdx test 0: !found IFD.property.fairspec.compound.id 11 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=11 test 0: !found IFD.property.dataobject.id 11-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /11-hmbc/11-hmbc.jdx test 0: !found IFD.property.fairspec.compound.id 11 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=11 test 0: !found IFD.property.dataobject.id 11-hsqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /11-hsqc/11-hsqc.jdx test 0: !found IFD.property.fairspec.compound.id 11 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=11 test 0: !found IFD.property.dataobject.id 11-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /11-1H/11-1H.jdx test 0: !found IFD.property.fairspec.compound.id 11 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=11 test 0: !found IFD.property.dataobject.id 12-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /12-13C/12-13C.jdx test 0: !found IFD.property.fairspec.compound.id 12 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=12 test 0: !found IFD.property.dataobject.id 12-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /12-1H/12-1H.jdx test 0: !found IFD.property.fairspec.compound.id 12 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=12 test 0: !found IFD.property.dataobject.id 12hsqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /12-hsqc/12hsqc.jdx test 0: !found IFD.property.fairspec.compound.id 12 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=12 test 0: !found IFD.property.dataobject.id 12-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /12-hmbc/12-hmbc.jdx test 0: !found IFD.property.fairspec.compound.id 12 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=12 test 0: !found IFD.property.dataobject.id 14-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /14-13C/14-13C.jdx test 0: !found IFD.property.fairspec.compound.id 14 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=14 test 0: !found IFD.property.dataobject.id 14-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /14-hmbc/14-hmbc.jdx test 0: !found IFD.property.fairspec.compound.id 14 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=14 test 0: !found IFD.property.dataobject.id 14-hsqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /14-hsqc/14-hsqc.jdx test 0: !found IFD.property.fairspec.compound.id 14 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=14 test 0: !found IFD.property.dataobject.id 14-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /14-1H/14-1H.jdx test 0: !found IFD.property.fairspec.compound.id 14 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=14 test 0: !found IFD.property.dataobject.id 15b test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /15-13C/15b.jdx test 0: !found IFD.property.fairspec.compound.id 15 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=15 test 0: !found IFD.property.dataobject.id 15b-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /15-1H/15b-1H.jdx test 0: !found IFD.property.fairspec.compound.id 15 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=15 test 0: !found IFD.property.dataobject.id 16-hsqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /16-hsqc/16-hsqc.jdx test 0: !found IFD.property.fairspec.compound.id 16 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=16 test 0: !found IFD.property.dataobject.id 16-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /16-13C/16-13C.jdx test 0: !found IFD.property.fairspec.compound.id 16 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=16 test 0: !found IFD.property.dataobject.id 16-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /16-1H/16-1H.jdx test 0: !found IFD.property.fairspec.compound.id 16 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=16 test 0: !found IFD.property.dataobject.id 16-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /16-hmbc/16-hmbc.jdx test 0: !found IFD.property.fairspec.compound.id 16 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=16 test 0: !found IFD.property.dataobject.id 17-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /17-1H/17-1H.jdx test 0: !found IFD.property.fairspec.compound.id 17 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=17 test 0: !found IFD.property.dataobject.id 17-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /17-13C/17-13C.jdx test 0: !found IFD.property.fairspec.compound.id 17 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=17 test 0: !found IFD.property.dataobject.id 17-hsqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /17-hsqc/17-hsqc.jdx test 0: !found IFD.property.fairspec.compound.id 17 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=17 test 0: !found IFD.property.dataobject.id 17-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /17-hmbc/17-hmbc.jdx test 0: !found IFD.property.fairspec.compound.id 17 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=17 test 0: !found IFD.property.dataobject.id 18-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /18-1H/18-1H.jdx test 0: !found IFD.property.fairspec.compound.id 18 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=18 test 0: !found IFD.property.dataobject.id 18-HMBC test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /18-hmbc/18-HMBC.jdx test 0: !found IFD.property.fairspec.compound.id 18 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=18 test 0: !found IFD.property.dataobject.id 18-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /18-13C/18-13C.jdx test 0: !found IFD.property.fairspec.compound.id 18 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=18 test 0: !found IFD.property.dataobject.id 18-JCAMP test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /18-hsqc/18-JCAMP.jdx test 0: !found IFD.property.fairspec.compound.id 18 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=18 test 0: !found IFD.property.dataobject.id 19 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /19-1H/19.jdx test 0: !found IFD.property.fairspec.compound.id 19 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=19 test 0: !found IFD.property.dataobject.id 19 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /19-hmbc/19.jdx test 0: !found IFD.property.fairspec.compound.id 19 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=19 test 0: !found IFD.property.dataobject.id 19 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /19-13C/19.jdx test 0: !found IFD.property.fairspec.compound.id 19 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=19 test 0: !found IFD.property.dataobject.id 19-hsqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /19-hsqc/19-hsqc.jdx test 0: !found IFD.property.fairspec.compound.id 19 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=19 test 0: !found IFD.property.dataobject.id 20-hsqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /20-hsqc/20-hsqc.jdx test 0: !found IFD.property.fairspec.compound.id 20 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=20 test 0: !found IFD.property.dataobject.id 20-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /20-hmbc/20-hmbc.jdx test 0: !found IFD.property.fairspec.compound.id 20 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=20 test 0: !found IFD.property.dataobject.id 20-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /20-13C/20-13C.jdx test 0: !found IFD.property.fairspec.compound.id 20 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=20 test 0: !found IFD.property.dataobject.id 20-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /20-1H/20-1H.jdx test 0: !found IFD.property.fairspec.compound.id 20 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=20 test 0: !found IFD.property.dataobject.id 21-hsqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /21-hsqc/21-hsqc.jdx test 0: !found IFD.property.fairspec.compound.id 21 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=21 test 0: !found IFD.property.dataobject.id 21-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /21-hmbc/21-hmbc.jdx test 0: !found IFD.property.fairspec.compound.id 21 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=21 test 0: !found IFD.property.dataobject.id 21-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /21-1H/21-1H.jdx test 0: !found IFD.property.fairspec.compound.id 21 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=21 test 0: !found IFD.property.dataobject.id 21-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /21-13C/21-13C.jdx test 0: !found IFD.property.fairspec.compound.id 21 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=21 test 0: !found IFD.property.dataobject.id 24-hsqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /24-hsqc/24-hsqc.jdx test 0: !found IFD.property.fairspec.compound.id 24 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=24 test 0: !found IFD.property.dataobject.id 24-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /24-13C/24-13C.jdx test 0: !found IFD.property.fairspec.compound.id 24 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=24 test 0: !found IFD.property.dataobject.id 24-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /24-1H/24-1H.jdx test 0: !found IFD.property.fairspec.compound.id 24 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=24 test 0: !found IFD.property.dataobject.id 24-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /24-hmbc/24-hmbc.jdx test 0: !found IFD.property.fairspec.compound.id 24 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=24 test 0: !found IFD.property.dataobject.id 25-hsqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /25-hsqc/25-hsqc.jdx test 0: !found IFD.property.fairspec.compound.id 25 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=25 test 0: !found IFD.property.dataobject.id 25-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /25-13C/25-13C.jdx test 0: !found IFD.property.fairspec.compound.id 25 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=25 test 0: !found IFD.property.dataobject.id 25-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /25-hmbc/25-hmbc.jdx test 0: !found IFD.property.fairspec.compound.id 25 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=25 test 0: !found IFD.property.dataobject.id 25-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /25-1H/25-1H.jdx test 0: !found IFD.property.fairspec.compound.id 25 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=25 test 0: !found IFD.property.dataobject.id 28-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /28-13C/28-13C.jdx test 0: !found IFD.property.fairspec.compound.id 28 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=28 test 0: !found IFD.property.dataobject.id 28-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /28-1H/28-1H.jdx test 0: !found IFD.property.fairspec.compound.id 28 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=28 test 0: !found IFD.property.dataobject.id 28-hsqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /28-hsqc/28-hsqc.jdx test 0: !found IFD.property.fairspec.compound.id 28 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=28 test 0: !found IFD.property.dataobject.id 28-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /28-hmbc/28-hmbc.jdx test 0: !found IFD.property.fairspec.compound.id 28 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=28 test 0: !found IFD.property.dataobject.id 33-in CDCl3 cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.jdx test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 33-in CDCl3 hmqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-CDCl3/33-in CDCl3 hmqc/33-in CDCl3 hmqc.jdx test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 33-in CDCl3 1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.jdx test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 33-in CDCl3 13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.jdx test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 33-in CDCl3 hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.jdx test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 33-in acetone-d6 hmqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-acetone-d6/33-in acetone-d6 hmqc/33-in acetone-d6 hmqc.jdx test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 33-in acetone-d6 1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.jdx test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 33-in acetone-d6 hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.jdx test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 33-in acetone-d6 13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.jdx test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 34-in CDCl3 cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.jdx test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 34-in CDCl3 1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.jdx test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 34-in CDCl3 hsqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-CDCl3/34-in CDCl3 hsqc/34-in CDCl3 hsqc.jdx test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 34-in CDCl3 13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.jdx test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 34-in CDCl3 hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.jdx test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 34-in acetone-d6 hsqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-acetone-d6/34-in acetone-d6 hsqc/34-in acetone-d6 hsqc.jdx test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 34-in acetone-d6 hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-acetone-d6/34-in acetone-d6 hmbc/34-in acetone-d6 hmbc.jdx test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 34-in acetone-d6 1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.jdx test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 34-in acetone-d6 13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.jdx test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 37-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /37-1H/37-1H.jdx test 0: !found IFD.property.fairspec.compound.id 37 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=37 test 0: !found IFD.property.dataobject.id 37-hmqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /37-hsqc/37-hmqc.jdx test 0: !found IFD.property.fairspec.compound.id 37 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=37 test 0: !found IFD.property.dataobject.id 37-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /37-hmbc/37-hmbc.jdx test 0: !found IFD.property.fairspec.compound.id 37 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=37 test 0: !found IFD.property.dataobject.id 37-cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /37-cosy/37-cosy.jdx test 0: !found IFD.property.fairspec.compound.id 37 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=37 test 0: !found IFD.property.dataobject.id 37-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /37-13C/37-13C.jdx test 0: !found IFD.property.fairspec.compound.id 37 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=37 test 0: !found IFD.property.dataobject.id 38-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /38-13C/38-13C.jdx test 0: !found IFD.property.fairspec.compound.id 38 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=38 test 0: !found IFD.property.dataobject.id 38-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /38-1H/38-1H.jdx test 0: !found IFD.property.fairspec.compound.id 38 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=38 test 0: !found IFD.property.dataobject.id 38-cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /38-cosy/38-cosy.jdx test 0: !found IFD.property.fairspec.compound.id 38 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=38 test 0: !found IFD.property.dataobject.id 38-hmqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /38-hmqc/38-hmqc.jdx test 0: !found IFD.property.fairspec.compound.id 38 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=38 test 0: !found IFD.property.dataobject.id 38-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /38-hmbc/38-hmbc.jdx test 0: !found IFD.property.fairspec.compound.id 38 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=38 test 0: !found IFD.property.dataobject.id 39-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /39-13C/39-13C.jdx test 0: !found IFD.property.fairspec.compound.id 39 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=39 test 0: !found IFD.property.dataobject.id 39-hmqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /39-hmqc/39-hmqc.jdx test 0: !found IFD.property.fairspec.compound.id 39 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=39 test 0: !found IFD.property.dataobject.id 39-cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /39-cosy/39-cosy.jdx test 0: !found IFD.property.fairspec.compound.id 39 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=39 test 0: !found IFD.property.dataobject.id 39-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /39-1H/39-1H.jdx test 0: !found IFD.property.fairspec.compound.id 39 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=39 test 0: !found IFD.property.dataobject.id 39-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /39-hmbc/39-hmbc.jdx test 0: !found IFD.property.fairspec.compound.id 39 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=39 test 0: !found IFD.property.dataobject.id 40-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /40-hmbc/40-hmbc.jdx test 0: !found IFD.property.fairspec.compound.id 40 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=40 test 0: !found IFD.property.dataobject.id 40-hmqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /40-hmqc/40-hmqc.jdx test 0: !found IFD.property.fairspec.compound.id 40 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=40 test 0: !found IFD.property.dataobject.id 40-cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /40-cosy/40-cosy.jdx test 0: !found IFD.property.fairspec.compound.id 40 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=40 test 0: !found IFD.property.dataobject.id 40-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /40-13C/40-13C.jdx test 0: !found IFD.property.fairspec.compound.id 40 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=40 test 0: !found IFD.property.dataobject.id 40-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /40-1H/40-1H.jdx test 0: !found IFD.property.fairspec.compound.id 40 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=40 test 0: !found IFD.property.dataobject.id 49-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /49-13C/49-13C.jdx test 0: !found IFD.property.fairspec.compound.id 49 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=49 test 0: !found IFD.property.dataobject.id 49-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /49-1H/49-1H.jdx test 0: !found IFD.property.fairspec.compound.id 49 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=49 test 0: !found IFD.property.dataobject.id 49-hsqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /49-hsqc/49-hsqc.jdx test 0: !found IFD.property.fairspec.compound.id 49 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=49 test 0: !found IFD.property.dataobject.id 49-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /49-hmbc/49-hmbc.jdx test 0: !found IFD.property.fairspec.compound.id 49 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=49 test 0: !found IFD.property.dataobject.id 50-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /50-hmbc/50-hmbc.jdx test 0: !found IFD.property.fairspec.compound.id 50 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=50 test 0: !found IFD.property.dataobject.id 50-hsqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /50-hsqc/50-hsqc.jdx test 0: !found IFD.property.fairspec.compound.id 50 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=50 test 0: !found IFD.property.dataobject.id 50-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /50-13C/50-13C.jdx test 0: !found IFD.property.fairspec.compound.id 50 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=50 test 0: !found IFD.property.dataobject.id 50-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /50-1H/50-1H.jdx test 0: !found IFD.property.fairspec.compound.id 50 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=50 test 0: !found IFD.property.dataobject.id 61-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /61-13C/61-13C.jdx test 0: !found IFD.property.fairspec.compound.id 61 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=61 test 0: !found IFD.property.dataobject.id 61-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /61-hmbc/61-hmbc.jdx test 0: !found IFD.property.fairspec.compound.id 61 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=61 test 0: !found IFD.property.dataobject.id 61-hmqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /61-hmqc/61-hmqc.jdx test 0: !found IFD.property.fairspec.compound.id 61 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=61 test 0: !found IFD.property.dataobject.id 61-cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /61-cosy/61-cosy.jdx test 0: !found IFD.property.fairspec.compound.id 61 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=61 test 0: !found IFD.property.dataobject.id 61-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /61-1H/61-1H.jdx test 0: !found IFD.property.fairspec.compound.id 61 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=61 test 0: !found IFD.property.dataobject.id 62-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /62-1H/62-1H.jdx test 0: !found IFD.property.fairspec.compound.id 62 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=62 test 0: !found IFD.property.dataobject.id 62-hmqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /62-hmqc/62-hmqc.jdx test 0: !found IFD.property.fairspec.compound.id 62 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=62 test 0: !found IFD.property.dataobject.id 62-cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /62-cosy/62-cosy.jdx test 0: !found IFD.property.fairspec.compound.id 62 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=62 test 0: !found IFD.property.dataobject.id 62-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /62-13C/62-13C.jdx test 0: !found IFD.property.fairspec.compound.id 62 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=62 test 0: !found IFD.property.dataobject.id 62-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /62-hmbc/62-hmbc.jdx test 0: !found IFD.property.fairspec.compound.id 62 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=62 test 0: !Phase 2b found 0 IFD objects test 0: !Phase 2b file:/c:/temp/iupac/henry/v_acs/Archive.tar.gz {compound=IFD.property.fairspec.compound.id::*}{IFD.representation.dataobject.fairspec.nmr.vendor_dataset::/**/{IFD.property.dataobject.id::*}.zip} test 0: !found IFD.property.dataobject.id 5-1H in CD3OD test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /5-1H in CD3OD/5-1H in CD3OD.zip test 0: !found IFD.property.fairspec.compound.id 5 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=5 test 0: !found IFD.property.dataobject.id 5-13C in CD3OD test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /5-13C in CD3OD/5-13C in CD3OD.zip test 0: !found IFD.property.fairspec.compound.id 5 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=5 test 0: !found IFD.property.dataobject.id 5-1H in dmso-d6 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /5-1H in dmso-d6/5-1H in dmso-d6.zip test 0: !found IFD.property.fairspec.compound.id 5 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=5 test 0: !found IFD.property.dataobject.id 5-13C in dmso-d6 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /5-13C in dmso-d6/5-13C in dmso-d6.zip test 0: !found IFD.property.fairspec.compound.id 5 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=5 test 0: !found IFD.property.dataobject.id 6-hmbc in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /6-hmbc in CDCl3/6-hmbc in CDCl3.zip test 0: !found IFD.property.fairspec.compound.id 6 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=6 test 0: !found IFD.property.dataobject.id 6-1H in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /6-1H in CDCl3/6-1H in CDCl3.zip test 0: !found IFD.property.fairspec.compound.id 6 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=6 test 0: !found IFD.property.dataobject.id 6-1H in CD3OD test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /6-1H in CD3OD/6-1H in CD3OD.zip test 0: !found IFD.property.fairspec.compound.id 6 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=6 test 0: !found IFD.property.dataobject.id 6-13C in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /6-13C in CDCl3/6-13C in CDCl3.zip test 0: !found IFD.property.fairspec.compound.id 6 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=6 test 0: !found IFD.property.dataobject.id 6-13C in CD3OD test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /6-13C in CD3OD/6-13C in CD3OD.zip test 0: !found IFD.property.fairspec.compound.id 6 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=6 test 0: !found IFD.property.dataobject.id 6-cosy in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /6-cosy in CDCl3/6-cosy in CDCl3.zip test 0: !found IFD.property.fairspec.compound.id 6 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=6 test 0: !found IFD.property.dataobject.id 8-13C in CD3OD test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /8-13C in CD3OD/8-13C in CD3OD.zip test 0: !found IFD.property.fairspec.compound.id 8 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=8 test 0: !found IFD.property.dataobject.id 8-13C in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /8-13C in CDCl3/8-13C in CDCl3.zip test 0: !found IFD.property.fairspec.compound.id 8 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=8 test 0: !found IFD.property.dataobject.id 8-hmbc in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /8-hmbc in CDCl3/8-hmbc in CDCl3.zip test 0: !found IFD.property.fairspec.compound.id 8 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=8 test 0: !found IFD.property.dataobject.id 8-1H in CD3OD test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /8-1H in CD3OD/8-1H in CD3OD.zip test 0: !found IFD.property.fairspec.compound.id 8 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=8 test 0: !found IFD.property.dataobject.id 8-1H in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /8-1H in CDCl3/8-1H in CDCl3.zip test 0: !found IFD.property.fairspec.compound.id 8 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=8 test 0: !found IFD.property.dataobject.id 9-keto form 1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /9-keto-1H/9-keto form 1H.zip test 0: !found IFD.property.fairspec.compound.id 9 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=9 test 0: !found IFD.property.dataobject.id 9-enol form cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /9-enol-cosy/9-enol form cosy.zip test 0: !found IFD.property.fairspec.compound.id 9 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=9 test 0: !found IFD.property.dataobject.id 9-enol form 1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /9-enol-1H/9-enol form 1H.zip test 0: !found IFD.property.fairspec.compound.id 9 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=9 test 0: !found IFD.property.dataobject.id 9-keto form 13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /9-keto-13C/9-keto form 13C.zip test 0: !found IFD.property.fairspec.compound.id 9 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=9 test 0: !found IFD.property.dataobject.id 9-enol form 13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /9-enol-13C/9-enol form 13C.zip test 0: !found IFD.property.fairspec.compound.id 9 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=9 test 0: !found IFD.property.dataobject.id 9-enol form hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /9-enol-HMBC/9-enol form hmbc.zip test 0: !found IFD.property.fairspec.compound.id 9 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=9 test 0: !found IFD.property.dataobject.id 10-hmbc in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /10-hmbc in CDCl3/10-hmbc in CDCl3.zip test 0: !found IFD.property.fairspec.compound.id 10 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=10 test 0: !found IFD.property.dataobject.id 10-13C in CD3OD test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /10-13C in CD3OD/10-13C in CD3OD.zip test 0: !found IFD.property.fairspec.compound.id 10 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=10 test 0: !found IFD.property.dataobject.id 10-13C in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /10-13C in CDCl3/10-13C in CDCl3.zip test 0: !found IFD.property.fairspec.compound.id 10 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=10 test 0: !found IFD.property.dataobject.id 10-1H in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /10-1H in CDCl3/10-1H in CDCl3.zip test 0: !found IFD.property.fairspec.compound.id 10 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=10 test 0: !found IFD.property.dataobject.id 10-1H in CD3OD test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /10-1H in CD3OD/10-1H in CD3OD.zip test 0: !found IFD.property.fairspec.compound.id 10 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=10 test 0: !found IFD.property.dataobject.id 10-cosy in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /10-cosy in CDCl3/10-cosy in CDCl3.zip test 0: !found IFD.property.fairspec.compound.id 10 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=10 test 0: !found IFD.property.dataobject.id 11-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /11-13C/11-13C.zip test 0: !found IFD.property.fairspec.compound.id 11 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=11 test 0: !found IFD.property.dataobject.id 11-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /11-hmbc/11-hmbc.zip test 0: !found IFD.property.fairspec.compound.id 11 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=11 test 0: !found IFD.property.dataobject.id 11-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /11-1H/11-1H.zip test 0: !found IFD.property.fairspec.compound.id 11 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=11 test 0: !found IFD.property.dataobject.id 12-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /12-13C/12-13C.zip test 0: !found IFD.property.fairspec.compound.id 12 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=12 test 0: !found IFD.property.dataobject.id 12-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /12-1H/12-1H.zip test 0: !found IFD.property.fairspec.compound.id 12 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=12 test 0: !found IFD.property.dataobject.id 14-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /14-13C/14-13C.zip test 0: !found IFD.property.fairspec.compound.id 14 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=14 test 0: !found IFD.property.dataobject.id 14-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /14-1H/14-1H.zip test 0: !found IFD.property.fairspec.compound.id 14 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=14 test 0: !found IFD.property.dataobject.id 15b-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /15-13C/15b-13C.zip test 0: !found IFD.property.fairspec.compound.id 15 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=15 test 0: !found IFD.property.dataobject.id 15b-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /15-1H/15b-1H.zip test 0: !found IFD.property.fairspec.compound.id 15 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=15 test 0: !found IFD.property.dataobject.id 15b-1H-a test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /15-1H/15b-1H-a.zip test 0: !found IFD.property.fairspec.compound.id 15 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=15 test 0: !found IFD.property.dataobject.id 16-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /16-13C/16-13C.zip test 0: !found IFD.property.fairspec.compound.id 16 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=16 test 0: !found IFD.property.dataobject.id 16-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /16-1H/16-1H.zip test 0: !found IFD.property.fairspec.compound.id 16 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=16 test 0: !found IFD.property.dataobject.id 17-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /17-1H/17-1H.zip test 0: !found IFD.property.fairspec.compound.id 17 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=17 test 0: !found IFD.property.dataobject.id 17-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /17-13C/17-13C.zip test 0: !found IFD.property.fairspec.compound.id 17 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=17 test 0: !found IFD.property.dataobject.id 18-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /18-1H/18-1H.zip test 0: !found IFD.property.fairspec.compound.id 18 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=18 test 0: !found IFD.property.dataobject.id 18-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /18-13C/18-13C.zip test 0: !found IFD.property.fairspec.compound.id 18 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=18 test 0: !found IFD.property.dataobject.id 19-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /19-1H/19-1H.zip test 0: !found IFD.property.fairspec.compound.id 19 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=19 test 0: !found IFD.property.dataobject.id 19-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /19-13C/19-13C.zip test 0: !found IFD.property.fairspec.compound.id 19 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=19 test 0: !found IFD.property.dataobject.id 20-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /20-13C/20-13C.zip test 0: !found IFD.property.fairspec.compound.id 20 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=20 test 0: !found IFD.property.dataobject.id 20-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /20-1H/20-1H.zip test 0: !found IFD.property.fairspec.compound.id 20 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=20 test 0: !found IFD.property.dataobject.id 21-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /21-1H/21-1H.zip test 0: !found IFD.property.fairspec.compound.id 21 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=21 test 0: !found IFD.property.dataobject.id 21-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /21-13C/21-13C.zip test 0: !found IFD.property.fairspec.compound.id 21 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=21 test 0: !found IFD.property.dataobject.id 24-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /24-13C/24-13C.zip test 0: !found IFD.property.fairspec.compound.id 24 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=24 test 0: !found IFD.property.dataobject.id 24-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /24-1H/24-1H.zip test 0: !found IFD.property.fairspec.compound.id 24 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=24 test 0: !found IFD.property.dataobject.id 24-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /24-hmbc/24-hmbc.zip test 0: !found IFD.property.fairspec.compound.id 24 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=24 test 0: !found IFD.property.dataobject.id 25-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /25-13C/25-13C.zip test 0: !found IFD.property.fairspec.compound.id 25 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=25 test 0: !found IFD.property.dataobject.id 25-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /25-1H/25-1H.zip test 0: !found IFD.property.fairspec.compound.id 25 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=25 test 0: !found IFD.property.dataobject.id 28-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /28-13C/28-13C.zip test 0: !found IFD.property.fairspec.compound.id 28 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=28 test 0: !found IFD.property.dataobject.id 28-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /28-1H/28-1H.zip test 0: !found IFD.property.fairspec.compound.id 28 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=28 test 0: !found IFD.property.dataobject.id 33-in CDCl3 cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 33-in CDCl3 1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 33-in CDCl3 13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 33-in CDCl3 hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 33-in acetone-d6 1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 33-in acetone-d6 hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 33-in acetone-d6 13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 34-in CDCl3 cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 34-in CDCl3 1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 34-in CDCl3 13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 34-in CDCl3 hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 34-in acetone-d6 1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 34-in acetone-d6 13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 37-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /37-1H/37-1H.zip test 0: !found IFD.property.fairspec.compound.id 37 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=37 test 0: !found IFD.property.dataobject.id 37-cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /37-cosy/37-cosy.zip test 0: !found IFD.property.fairspec.compound.id 37 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=37 test 0: !found IFD.property.dataobject.id 37-3C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /37-13C/37-3C.zip test 0: !found IFD.property.fairspec.compound.id 37 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=37 test 0: !found IFD.property.dataobject.id 38-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /38-13C/38-13C.zip test 0: !found IFD.property.fairspec.compound.id 38 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=38 test 0: !found IFD.property.dataobject.id 38-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /38-1H/38-1H.zip test 0: !found IFD.property.fairspec.compound.id 38 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=38 test 0: !found IFD.property.dataobject.id 38-cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /38-cosy/38-cosy.zip test 0: !found IFD.property.fairspec.compound.id 38 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=38 test 0: !found IFD.property.dataobject.id 38-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /38-hmbc/38-hmbc.zip test 0: !found IFD.property.fairspec.compound.id 38 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=38 test 0: !found IFD.property.dataobject.id 39-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /39-13C/39-13C.zip test 0: !found IFD.property.fairspec.compound.id 39 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=39 test 0: !found IFD.property.dataobject.id 39-cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /39-cosy/39-cosy.zip test 0: !found IFD.property.fairspec.compound.id 39 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=39 test 0: !found IFD.property.dataobject.id 39-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /39-1H/39-1H.zip test 0: !found IFD.property.fairspec.compound.id 39 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=39 test 0: !found IFD.property.dataobject.id 39-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /39-hmbc/39-hmbc.zip test 0: !found IFD.property.fairspec.compound.id 39 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=39 test 0: !found IFD.property.dataobject.id 40-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /40-hmbc/40-hmbc.zip test 0: !found IFD.property.fairspec.compound.id 40 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=40 test 0: !found IFD.property.dataobject.id 40-cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /40-cosy/40-cosy.zip test 0: !found IFD.property.fairspec.compound.id 40 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=40 test 0: !found IFD.property.dataobject.id 40-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /40-13C/40-13C.zip test 0: !found IFD.property.fairspec.compound.id 40 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=40 test 0: !found IFD.property.dataobject.id 40-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /40-1H/40-1H.zip test 0: !found IFD.property.fairspec.compound.id 40 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=40 test 0: !found IFD.property.dataobject.id 49-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /49-13C/49-13C.zip test 0: !found IFD.property.fairspec.compound.id 49 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=49 test 0: !found IFD.property.dataobject.id 49-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /49-1H/49-1H.zip test 0: !found IFD.property.fairspec.compound.id 49 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=49 test 0: !found IFD.property.dataobject.id 50-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /50-13C/50-13C.zip test 0: !found IFD.property.fairspec.compound.id 50 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=50 test 0: !found IFD.property.dataobject.id 50-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /50-1H/50-1H.zip test 0: !found IFD.property.fairspec.compound.id 50 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=50 test 0: !found IFD.property.dataobject.id 61-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /61-13C/61-13C.zip test 0: !found IFD.property.fairspec.compound.id 61 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=61 test 0: !found IFD.property.dataobject.id 61-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /61-hmbc/61-hmbc.zip test 0: !found IFD.property.fairspec.compound.id 61 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=61 test 0: !found IFD.property.dataobject.id 61-hmqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /61-hmqc/61-hmqc.zip test 0: !found IFD.property.fairspec.compound.id 61 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=61 test 0: !found IFD.property.dataobject.id 61-cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /61-cosy/61-cosy.zip test 0: !found IFD.property.fairspec.compound.id 61 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=61 test 0: !found IFD.property.dataobject.id 61-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /61-1H/61-1H.zip test 0: !found IFD.property.fairspec.compound.id 61 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=61 test 0: !found IFD.property.dataobject.id 62-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /62-1H/62-1H.zip test 0: !found IFD.property.fairspec.compound.id 62 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=62 test 0: !found IFD.property.dataobject.id 62-cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /62-cosy/62-cosy.zip test 0: !found IFD.property.fairspec.compound.id 62 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=62 test 0: !found IFD.property.dataobject.id 62-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /62-13C/62-13C.zip test 0: !found IFD.property.fairspec.compound.id 62 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=62 test 0: !Phase 2b found 0 IFD objects test 0: !Phase 2b file:/c:/temp/iupac/henry/v_acs/Archive.tar.gz {compound=IFD.property.fairspec.compound.id::*}{IFD.representation.dataobject.fairspec.nmr.vendor_dataset::/*/{IFD.property.dataobject.id::*}.pdf} test 0: !found IFD.property.dataobject.id 5-1H in CD3OD test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /5-1H in CD3OD/5-1H in CD3OD.pdf test 0: !found IFD.property.fairspec.compound.id 5 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=5 test 0: !found IFD.property.dataobject.id TM-VI-033 cyclized_2021-06-13T11-24-55 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /5-IR/TM-VI-033 cyclized_2021-06-13T11-24-55.pdf test 0: !found IFD.property.fairspec.compound.id 5 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=5 test 0: !found IFD.property.dataobject.id 5-13C in CD3OD test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /5-13C in CD3OD/5-13C in CD3OD.pdf test 0: !found IFD.property.fairspec.compound.id 5 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=5 test 0: !found IFD.property.dataobject.id 5-1H in dmso-d6 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /5-1H in dmso-d6/5-1H in dmso-d6.pdf test 0: !found IFD.property.fairspec.compound.id 5 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=5 test 0: !found IFD.property.dataobject.id 5-13C in dmso-d6 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /5-13C in dmso-d6/5-13C in dmso-d6.pdf test 0: !found IFD.property.fairspec.compound.id 5 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=5 test 0: !found IFD.property.dataobject.id 6-hsqc in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /6-hsqc in CDCl3/6-hsqc in CDCl3.pdf test 0: !found IFD.property.fairspec.compound.id 6 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=6 test 0: !found IFD.property.dataobject.id 6-hmbc in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /6-hmbc in CDCl3/6-hmbc in CDCl3.pdf test 0: !found IFD.property.fairspec.compound.id 6 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=6 test 0: !found IFD.property.dataobject.id 6-1H in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /6-1H in CDCl3/6-1H in CDCl3.pdf test 0: !found IFD.property.fairspec.compound.id 6 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=6 test 0: !found IFD.property.dataobject.id 6-1H in CD3OD test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /6-1H in CD3OD/6-1H in CD3OD.pdf test 0: !found IFD.property.fairspec.compound.id 6 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=6 test 0: !found IFD.property.dataobject.id 6-13C in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /6-13C in CDCl3/6-13C in CDCl3.pdf test 0: !found IFD.property.fairspec.compound.id 6 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=6 test 0: !found IFD.property.dataobject.id TM-VI-152, Ph-pyr_2022-07-19T10-50-11 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /6-IR/TM-VI-152, Ph-pyr_2022-07-19T10-50-11.pdf test 0: !found IFD.property.fairspec.compound.id 6 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=6 test 0: !found IFD.property.dataobject.id 6-13C in CD3OD test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /6-13C in CD3OD/6-13C in CD3OD.pdf test 0: !found IFD.property.fairspec.compound.id 6 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=6 test 0: !found IFD.property.dataobject.id 6-cosy in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /6-cosy in CDCl3/6-cosy in CDCl3.pdf test 0: !found IFD.property.fairspec.compound.id 6 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=6 test 0: !found IFD.property.dataobject.id 8-13C in CD3OD test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /8-13C in CD3OD/8-13C in CD3OD.pdf test 0: !found IFD.property.fairspec.compound.id 8 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=8 test 0: !found IFD.property.dataobject.id 8-13C in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /8-13C in CDCl3/8-13C in CDCl3.pdf test 0: !found IFD.property.fairspec.compound.id 8 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=8 test 0: !found IFD.property.dataobject.id 8-hmbc in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /8-hmbc in CDCl3/8-hmbc in CDCl3.pdf test 0: !found IFD.property.fairspec.compound.id 8 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=8 test 0: !found IFD.property.dataobject.id 8-hmqc in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /8-hmqc in CDCl3/8-hmqc in CDCl3.pdf test 0: !found IFD.property.fairspec.compound.id 8 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=8 test 0: !found IFD.property.dataobject.id 8-1H in CD3OD test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /8-1H in CD3OD/8-1H in CD3OD.pdf test 0: !found IFD.property.fairspec.compound.id 8 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=8 test 0: !found IFD.property.dataobject.id 8-1H in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /8-1H in CDCl3/8-1H in CDCl3.pdf test 0: !found IFD.property.fairspec.compound.id 8 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=8 test 0: !found IFD.property.dataobject.id TM-VI-15x, PMB-pyr_2022-07-19T10-53-22 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /8-IR/TM-VI-15x, PMB-pyr_2022-07-19T10-53-22.pdf test 0: !found IFD.property.fairspec.compound.id 8 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=8 test 0: !found IFD.property.dataobject.id 9-keto form 1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /9-keto-1H/9-keto form 1H.pdf test 0: !found IFD.property.fairspec.compound.id 9 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=9 test 0: !found IFD.property.dataobject.id 9-enol form cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /9-enol-cosy/9-enol form cosy.pdf test 0: !found IFD.property.fairspec.compound.id 9 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=9 test 0: !found IFD.property.dataobject.id 9-enol form hmqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /9-enol-HMQC/9-enol form hmqc.pdf test 0: !found IFD.property.fairspec.compound.id 9 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=9 test 0: !found IFD.property.dataobject.id 9-enol form 1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /9-enol-1H/9-enol form 1H.pdf test 0: !found IFD.property.fairspec.compound.id 9 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=9 test 0: !found IFD.property.dataobject.id 9-keto form 13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /9-keto-13C/9-keto form 13C.pdf test 0: !found IFD.property.fairspec.compound.id 9 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=9 test 0: !found IFD.property.dataobject.id TM-VI-368, decarb. pmb-pyr_2022-07-19T10-45-41 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /9-IR/TM-VI-368, decarb. pmb-pyr_2022-07-19T10-45-41.pdf test 0: !found IFD.property.fairspec.compound.id 9 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=9 test 0: !found IFD.property.dataobject.id 9-enol form 13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /9-enol-13C/9-enol form 13C.pdf test 0: !found IFD.property.fairspec.compound.id 9 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=9 test 0: !found IFD.property.dataobject.id 9-enol form hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /9-enol-HMBC/9-enol form hmbc.pdf test 0: !found IFD.property.fairspec.compound.id 9 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=9 test 0: !found IFD.property.dataobject.id 10-hmqc in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /10-hmqc in CDCl3/10-hmqc in CDCl3.pdf test 0: !found IFD.property.fairspec.compound.id 10 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=10 test 0: !found IFD.property.dataobject.id 10-hmbc in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /10-hmbc in CDCl3/10-hmbc in CDCl3.pdf test 0: !found IFD.property.fairspec.compound.id 10 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=10 test 0: !found IFD.property.dataobject.id 10-13C in CD3OD test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /10-13C in CD3OD/10-13C in CD3OD.pdf test 0: !found IFD.property.fairspec.compound.id 10 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=10 test 0: !found IFD.property.dataobject.id 10-13C in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /10-13C in CDCl3/10-13C in CDCl3.pdf test 0: !found IFD.property.fairspec.compound.id 10 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=10 test 0: !found IFD.property.dataobject.id 10-1H in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /10-1H in CDCl3/10-1H in CDCl3.pdf test 0: !found IFD.property.fairspec.compound.id 10 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=10 test 0: !found IFD.property.dataobject.id 10-1H in CD3OD test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /10-1H in CD3OD/10-1H in CD3OD.pdf test 0: !found IFD.property.fairspec.compound.id 10 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=10 test 0: !found IFD.property.dataobject.id TM-VI-167_2021-11-24T15-43-58 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /10-IR/TM-VI-167_2021-11-24T15-43-58.pdf test 0: !found IFD.property.fairspec.compound.id 10 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=10 test 0: !found IFD.property.dataobject.id 10-cosy in CDCl3 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /10-cosy in CDCl3/10-cosy in CDCl3.pdf test 0: !found IFD.property.fairspec.compound.id 10 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=10 test 0: !found IFD.property.dataobject.id 11-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /11-13C/11-13C.pdf test 0: !found IFD.property.fairspec.compound.id 11 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=11 test 0: !found IFD.property.dataobject.id 11-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /11-hmbc/11-hmbc.pdf test 0: !found IFD.property.fairspec.compound.id 11 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=11 test 0: !found IFD.property.dataobject.id 11-hsqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /11-hsqc/11-hsqc.pdf test 0: !found IFD.property.fairspec.compound.id 11 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=11 test 0: !found IFD.property.dataobject.id 11-cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /11-cosy/11-cosy.pdf test 0: !found IFD.property.fairspec.compound.id 11 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=11 test 0: !found IFD.property.dataobject.id 11-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /11-1H/11-1H.pdf test 0: !found IFD.property.fairspec.compound.id 11 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=11 test 0: !found IFD.property.dataobject.id TM-VI-251_2022-07-19T17-59-29 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /11-IR/TM-VI-251_2022-07-19T17-59-29.pdf test 0: !found IFD.property.fairspec.compound.id 11 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=11 test 0: !found IFD.property.dataobject.id TM-VI-333_2022-07-21T16-10-23 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /12-IR/TM-VI-333_2022-07-21T16-10-23.pdf test 0: !found IFD.property.fairspec.compound.id 12 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=12 test 0: !found IFD.property.dataobject.id 12-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /12-13C/12-13C.pdf test 0: !found IFD.property.fairspec.compound.id 12 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=12 test 0: !found IFD.property.dataobject.id 12-cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /12-cosy/12-cosy.pdf test 0: !found IFD.property.fairspec.compound.id 12 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=12 test 0: !found IFD.property.dataobject.id 12-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /12-1H/12-1H.pdf test 0: !found IFD.property.fairspec.compound.id 12 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=12 test 0: !found IFD.property.dataobject.id 12-hsqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /12-hsqc/12-hsqc.pdf test 0: !found IFD.property.fairspec.compound.id 12 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=12 test 0: !found IFD.property.dataobject.id 12-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /12-hmbc/12-hmbc.pdf test 0: !found IFD.property.fairspec.compound.id 12 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=12 test 0: !found IFD.property.dataobject.id 14-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /14-13C/14-13C.pdf test 0: !found IFD.property.fairspec.compound.id 14 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=14 test 0: !found IFD.property.dataobject.id 14-cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /14-cosy/14-cosy.pdf test 0: !found IFD.property.fairspec.compound.id 14 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=14 test 0: !found IFD.property.dataobject.id 14-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /14-hmbc/14-hmbc.pdf test 0: !found IFD.property.fairspec.compound.id 14 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=14 test 0: !found IFD.property.dataobject.id 14-hsqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /14-hsqc/14-hsqc.pdf test 0: !found IFD.property.fairspec.compound.id 14 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=14 test 0: !found IFD.property.dataobject.id TM-VI-254_2022-07-19T18-02-27 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /14-IR/TM-VI-254_2022-07-19T18-02-27.pdf test 0: !found IFD.property.fairspec.compound.id 14 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=14 test 0: !found IFD.property.dataobject.id 14-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /14-1H/14-1H.pdf test 0: !found IFD.property.fairspec.compound.id 14 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=14 test 0: !found IFD.property.dataobject.id 15b test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /15-13C/15b.pdf test 0: !found IFD.property.fairspec.compound.id 15 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=15 test 0: !found IFD.property.dataobject.id 15b-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /15-1H/15b-1H.pdf test 0: !found IFD.property.fairspec.compound.id 15 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=15 test 0: !found IFD.property.dataobject.id TM-VI-112_2021-10-12T12-15-42 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /15-IR/TM-VI-112_2021-10-12T12-15-42.pdf test 0: !found IFD.property.fairspec.compound.id 15 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=15 test 0: !found IFD.property.dataobject.id 16-hsqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /16-hsqc/16-hsqc.pdf test 0: !found IFD.property.fairspec.compound.id 16 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=16 test 0: !found IFD.property.dataobject.id TM-VI-104solid_2021-10-05T16-20-27 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /16-IR/TM-VI-104solid_2021-10-05T16-20-27.pdf test 0: !found IFD.property.fairspec.compound.id 16 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=16 test 0: !found IFD.property.dataobject.id 16-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /16-13C/16-13C.pdf test 0: !found IFD.property.fairspec.compound.id 16 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=16 test 0: !found IFD.property.dataobject.id 16-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /16-1H/16-1H.pdf test 0: !found IFD.property.fairspec.compound.id 16 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=16 test 0: !found IFD.property.dataobject.id 16-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /16-hmbc/16-hmbc.pdf test 0: !found IFD.property.fairspec.compound.id 16 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=16 test 0: !found IFD.property.dataobject.id 17-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /17-1H/17-1H.pdf test 0: !found IFD.property.fairspec.compound.id 17 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=17 test 0: !found IFD.property.dataobject.id 17-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /17-13C/17-13C.pdf test 0: !found IFD.property.fairspec.compound.id 17 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=17 test 0: !found IFD.property.dataobject.id TM-VI-169_2021-11-24T15-46-52 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /17-IR/TM-VI-169_2021-11-24T15-46-52.pdf test 0: !found IFD.property.fairspec.compound.id 17 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=17 test 0: !found IFD.property.dataobject.id 17-hsqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /17-hsqc/17-hsqc.pdf test 0: !found IFD.property.fairspec.compound.id 17 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=17 test 0: !found IFD.property.dataobject.id 17-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /17-hmbc/17-hmbc.pdf test 0: !found IFD.property.fairspec.compound.id 17 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=17 test 0: !found IFD.property.dataobject.id 17-cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /17-cosy/17-cosy.pdf test 0: !found IFD.property.fairspec.compound.id 17 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=17 test 0: !found IFD.property.dataobject.id TM-VI-106solid_2021-10-05T17-03-04 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /18-IR/TM-VI-106solid_2021-10-05T17-03-04.pdf test 0: !found IFD.property.fairspec.compound.id 18 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=18 test 0: !found IFD.property.dataobject.id 18-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /18-1H/18-1H.pdf test 0: !found IFD.property.fairspec.compound.id 18 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=18 test 0: !found IFD.property.dataobject.id 18-HMBC test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /18-hmbc/18-HMBC.pdf test 0: !found IFD.property.fairspec.compound.id 18 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=18 test 0: !found IFD.property.dataobject.id 18-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /18-13C/18-13C.pdf test 0: !found IFD.property.fairspec.compound.id 18 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=18 test 0: !found IFD.property.dataobject.id 18-hsqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /18-hsqc/18-hsqc.pdf test 0: !found IFD.property.fairspec.compound.id 18 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=18 test 0: !found IFD.property.dataobject.id 19 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /19-1H/19.pdf test 0: !found IFD.property.fairspec.compound.id 19 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=19 test 0: !found IFD.property.dataobject.id TM-VI-108solid_2021-10-06T16-15-46 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /19-IR/TM-VI-108solid_2021-10-06T16-15-46.pdf test 0: !found IFD.property.fairspec.compound.id 19 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=19 test 0: !found IFD.property.dataobject.id 19 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /19-hmbc/19.pdf test 0: !found IFD.property.fairspec.compound.id 19 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=19 test 0: !found IFD.property.dataobject.id 19 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /19-13C/19.pdf test 0: !found IFD.property.fairspec.compound.id 19 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=19 test 0: !found IFD.property.dataobject.id 19 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /19-hsqc/19.pdf test 0: !found IFD.property.fairspec.compound.id 19 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=19 test 0: !found IFD.property.dataobject.id 20-hsqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /20-hsqc/20-hsqc.pdf test 0: !found IFD.property.fairspec.compound.id 20 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=20 test 0: !found IFD.property.dataobject.id 20-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /20-hmbc/20-hmbc.pdf test 0: !found IFD.property.fairspec.compound.id 20 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=20 test 0: !found IFD.property.dataobject.id TM-VI-107solid_2021-10-06T16-12-26 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /20-IR/TM-VI-107solid_2021-10-06T16-12-26.pdf test 0: !found IFD.property.fairspec.compound.id 20 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=20 test 0: !found IFD.property.dataobject.id 20-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /20-13C/20-13C.pdf test 0: !found IFD.property.fairspec.compound.id 20 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=20 test 0: !found IFD.property.dataobject.id 20-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /20-1H/20-1H.pdf test 0: !found IFD.property.fairspec.compound.id 20 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=20 test 0: !found IFD.property.dataobject.id 21-hsqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /21-hsqc/21-hsqc.pdf test 0: !found IFD.property.fairspec.compound.id 21 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=21 test 0: !found IFD.property.dataobject.id 21-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /21-hmbc/21-hmbc.pdf test 0: !found IFD.property.fairspec.compound.id 21 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=21 test 0: !found IFD.property.dataobject.id 21-cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /21-cosy/21-cosy.pdf test 0: !found IFD.property.fairspec.compound.id 21 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=21 test 0: !found IFD.property.dataobject.id 21-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /21-1H/21-1H.pdf test 0: !found IFD.property.fairspec.compound.id 21 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=21 test 0: !found IFD.property.dataobject.id 21-IR test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /21-IR/21-IR.pdf test 0: !found IFD.property.fairspec.compound.id 21 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=21 test 0: !found IFD.property.dataobject.id 21-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /21-13C/21-13C.pdf test 0: !found IFD.property.fairspec.compound.id 21 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=21 test 0: !found IFD.property.dataobject.id 24-cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /24-cosy/24-cosy.pdf test 0: !found IFD.property.fairspec.compound.id 24 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=24 test 0: !found IFD.property.dataobject.id 24-hsqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /24-hsqc/24-hsqc.pdf test 0: !found IFD.property.fairspec.compound.id 24 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=24 test 0: !found IFD.property.dataobject.id TM-VI-136_2021-10-26T14-17-31 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /24-IR/TM-VI-136_2021-10-26T14-17-31.pdf test 0: !found IFD.property.fairspec.compound.id 24 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=24 test 0: !found IFD.property.dataobject.id 24-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /24-13C/24-13C.pdf test 0: !found IFD.property.fairspec.compound.id 24 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=24 test 0: !found IFD.property.dataobject.id 24-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /24-1H/24-1H.pdf test 0: !found IFD.property.fairspec.compound.id 24 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=24 test 0: !found IFD.property.dataobject.id 24-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /24-hmbc/24-hmbc.pdf test 0: !found IFD.property.fairspec.compound.id 24 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=24 test 0: !found IFD.property.dataobject.id 25-cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /25-cosy/25-cosy.pdf test 0: !found IFD.property.fairspec.compound.id 25 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=25 test 0: !found IFD.property.dataobject.id 25-hsqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /25-hsqc/25-hsqc.pdf test 0: !found IFD.property.fairspec.compound.id 25 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=25 test 0: !found IFD.property.dataobject.id 25-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /25-13C/25-13C.pdf test 0: !found IFD.property.fairspec.compound.id 25 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=25 test 0: !found IFD.property.dataobject.id 25-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /25-hmbc/25-hmbc.pdf test 0: !found IFD.property.fairspec.compound.id 25 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=25 test 0: !found IFD.property.dataobject.id 25-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /25-1H/25-1H.pdf test 0: !found IFD.property.fairspec.compound.id 25 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=25 test 0: !found IFD.property.dataobject.id TM-VI-171_2021-11-24T15-53-04 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /25-IR/TM-VI-171_2021-11-24T15-53-04.pdf test 0: !found IFD.property.fairspec.compound.id 25 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=25 test 0: !found IFD.property.dataobject.id 28-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /28-13C/28-13C.pdf test 0: !found IFD.property.fairspec.compound.id 28 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=28 test 0: !found IFD.property.dataobject.id TM-VI-273_2022-02-21T17-08-44 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /28-IR/TM-VI-273_2022-02-21T17-08-44.pdf test 0: !found IFD.property.fairspec.compound.id 28 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=28 test 0: !found IFD.property.dataobject.id 28-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /28-1H/28-1H.pdf test 0: !found IFD.property.fairspec.compound.id 28 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=28 test 0: !found IFD.property.dataobject.id 28-hsqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /28-hsqc/28-hsqc.pdf test 0: !found IFD.property.fairspec.compound.id 28 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=28 test 0: !found IFD.property.dataobject.id 28-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /28-hmbc/28-hmbc.pdf test 0: !found IFD.property.fairspec.compound.id 28 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=28 test 0: !found IFD.property.dataobject.id TM-VI-138_2021-10-27T13-33-21 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-IR/TM-VI-138_2021-10-27T13-33-21.pdf test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id TM-VI-137_2021-10-27T13-30-32 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-IR/TM-VI-137_2021-10-27T13-30-32.pdf test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 37-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /37-1H/37-1H.pdf test 0: !found IFD.property.fairspec.compound.id 37 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=37 test 0: !found IFD.property.dataobject.id 37-hmqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /37-hsqc/37-hmqc.pdf test 0: !found IFD.property.fairspec.compound.id 37 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=37 test 0: !found IFD.property.dataobject.id TM-VI-212_2021-12-20T14-17-29 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /37-IR/TM-VI-212_2021-12-20T14-17-29.pdf test 0: !found IFD.property.fairspec.compound.id 37 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=37 test 0: !found IFD.property.dataobject.id 37-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /37-hmbc/37-hmbc.pdf test 0: !found IFD.property.fairspec.compound.id 37 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=37 test 0: !found IFD.property.dataobject.id 37-cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /37-cosy/37-cosy.pdf test 0: !found IFD.property.fairspec.compound.id 37 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=37 test 0: !found IFD.property.dataobject.id 37-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /37-13C/37-13C.pdf test 0: !found IFD.property.fairspec.compound.id 37 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=37 test 0: !found IFD.property.dataobject.id 38-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /38-13C/38-13C.pdf test 0: !found IFD.property.fairspec.compound.id 38 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=38 test 0: !found IFD.property.dataobject.id TM-VI-213_2021-12-20T14-20-32 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /38-IR/TM-VI-213_2021-12-20T14-20-32.pdf test 0: !found IFD.property.fairspec.compound.id 38 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=38 test 0: !found IFD.property.dataobject.id 38-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /38-1H/38-1H.pdf test 0: !found IFD.property.fairspec.compound.id 38 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=38 test 0: !found IFD.property.dataobject.id 38-cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /38-cosy/38-cosy.pdf test 0: !found IFD.property.fairspec.compound.id 38 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=38 test 0: !found IFD.property.dataobject.id 38-hmqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /38-hmqc/38-hmqc.pdf test 0: !found IFD.property.fairspec.compound.id 38 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=38 test 0: !found IFD.property.dataobject.id 38-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /38-hmbc/38-hmbc.pdf test 0: !found IFD.property.fairspec.compound.id 38 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=38 test 0: !found IFD.property.dataobject.id 39-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /39-13C/39-13C.pdf test 0: !found IFD.property.fairspec.compound.id 39 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=39 test 0: !found IFD.property.dataobject.id 39-hmqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /39-hmqc/39-hmqc.pdf test 0: !found IFD.property.fairspec.compound.id 39 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=39 test 0: !found IFD.property.dataobject.id 39-cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /39-cosy/39-cosy.pdf test 0: !found IFD.property.fairspec.compound.id 39 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=39 test 0: !found IFD.property.dataobject.id 39-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /39-1H/39-1H.pdf test 0: !found IFD.property.fairspec.compound.id 39 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=39 test 0: !found IFD.property.dataobject.id TM-VI-156_2021-11-10T17-10-21 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /39-IR/TM-VI-156_2021-11-10T17-10-21.pdf test 0: !found IFD.property.fairspec.compound.id 39 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=39 test 0: !found IFD.property.dataobject.id 39-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /39-hmbc/39-hmbc.pdf test 0: !found IFD.property.fairspec.compound.id 39 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=39 test 0: !found IFD.property.dataobject.id 40-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /40-hmbc/40-hmbc.pdf test 0: !found IFD.property.fairspec.compound.id 40 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=40 test 0: !found IFD.property.dataobject.id 40-hmqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /40-hmqc/40-hmqc.pdf test 0: !found IFD.property.fairspec.compound.id 40 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=40 test 0: !found IFD.property.dataobject.id 40-cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /40-cosy/40-cosy.pdf test 0: !found IFD.property.fairspec.compound.id 40 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=40 test 0: !found IFD.property.dataobject.id 40-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /40-13C/40-13C.pdf test 0: !found IFD.property.fairspec.compound.id 40 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=40 test 0: !found IFD.property.dataobject.id 40-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /40-1H/40-1H.pdf test 0: !found IFD.property.fairspec.compound.id 40 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=40 test 0: !found IFD.property.dataobject.id TM-VI-158_2021-11-24T14-59-16 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /40-IR/TM-VI-158_2021-11-24T14-59-16.pdf test 0: !found IFD.property.fairspec.compound.id 40 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=40 test 0: !found IFD.property.dataobject.id TM-VI-228_2022-01-21T15-46-06 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /42-IR/TM-VI-228_2022-01-21T15-46-06.pdf test 0: !found IFD.property.fairspec.compound.id 42 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=42 test 0: !found IFD.property.dataobject.id TM-VI-232_2022-01-21T17-56-19 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /46-IR/TM-VI-232_2022-01-21T17-56-19.pdf test 0: !found IFD.property.fairspec.compound.id 46 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=46 test 0: !found IFD.property.dataobject.id 49-cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /49-cosy/49-cosy.pdf test 0: !found IFD.property.fairspec.compound.id 49 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=49 test 0: !found IFD.property.dataobject.id TM-VI-146-repeat_2021-11-10T16-42-37 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /49-IR/TM-VI-146-repeat_2021-11-10T16-42-37.pdf test 0: !found IFD.property.fairspec.compound.id 49 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=49 test 0: !found IFD.property.dataobject.id TM-VI-146-original_2021-11-10T16-39-21 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /49-IR/TM-VI-146-original_2021-11-10T16-39-21.pdf test 0: !found IFD.property.fairspec.compound.id 49 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=49 test 0: !found IFD.property.dataobject.id 49-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /49-13C/49-13C.pdf test 0: !found IFD.property.fairspec.compound.id 49 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=49 test 0: !found IFD.property.dataobject.id 49-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /49-1H/49-1H.pdf test 0: !found IFD.property.fairspec.compound.id 49 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=49 test 0: !found IFD.property.dataobject.id 49-hsqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /49-hsqc/49-hsqc.pdf test 0: !found IFD.property.fairspec.compound.id 49 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=49 test 0: !found IFD.property.dataobject.id 49-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /49-hmbc/49-hmbc.pdf test 0: !found IFD.property.fairspec.compound.id 49 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=49 test 0: !found IFD.property.dataobject.id 50-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /50-hmbc/50-hmbc.pdf test 0: !found IFD.property.fairspec.compound.id 50 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=50 test 0: !found IFD.property.dataobject.id 50-hsqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /50-hsqc/50-hsqc.pdf test 0: !found IFD.property.fairspec.compound.id 50 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=50 test 0: !found IFD.property.dataobject.id 50-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /50-13C/50-13C.pdf test 0: !found IFD.property.fairspec.compound.id 50 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=50 test 0: !found IFD.property.dataobject.id 50-cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /50-cosy/50-cosy.pdf test 0: !found IFD.property.fairspec.compound.id 50 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=50 test 0: !found IFD.property.dataobject.id 50-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /50-1H/50-1H.pdf test 0: !found IFD.property.fairspec.compound.id 50 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=50 test 0: !found IFD.property.dataobject.id TM-VI-147_2021-11-10T16-45-51 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /50-IR/TM-VI-147_2021-11-10T16-45-51.pdf test 0: !found IFD.property.fairspec.compound.id 50 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=50 test 0: !found IFD.property.dataobject.id TM-VI-192_2021-12-05T18-25-32 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /53-IR/TM-VI-192_2021-12-05T18-25-32.pdf test 0: !found IFD.property.fairspec.compound.id 53 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=53 test 0: !found IFD.property.dataobject.id TM-VI-195_2021-12-05T18-29-03 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /54-IR/TM-VI-195_2021-12-05T18-29-03.pdf test 0: !found IFD.property.fairspec.compound.id 54 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=54 test 0: !found IFD.property.dataobject.id TM-VI-196_2021-12-05T18-31-20 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /55-IR/TM-VI-196_2021-12-05T18-31-20.pdf test 0: !found IFD.property.fairspec.compound.id 55 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=55 test 0: !found IFD.property.dataobject.id TM-VI-198_2021-12-05T18-33-44 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /56-IR/TM-VI-198_2021-12-05T18-33-44.pdf test 0: !found IFD.property.fairspec.compound.id 56 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=56 test 0: !found IFD.property.dataobject.id TM-VI-202_2021-12-05T19-12-49 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /57-IR/TM-VI-202_2021-12-05T19-12-49.pdf test 0: !found IFD.property.fairspec.compound.id 57 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=57 test 0: !found IFD.property.dataobject.id TM-VI-203_2021-12-05T19-15-17 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /58-IR/TM-VI-203_2021-12-05T19-15-17.pdf test 0: !found IFD.property.fairspec.compound.id 58 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=58 test 0: !found IFD.property.dataobject.id TM-VI-205_2021-12-20T14-07-11 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /60-IR/TM-VI-205_2021-12-20T14-07-11.pdf test 0: !found IFD.property.fairspec.compound.id 60 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=60 test 0: !found IFD.property.dataobject.id 61-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /61-13C/61-13C.pdf test 0: !found IFD.property.fairspec.compound.id 61 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=61 test 0: !found IFD.property.dataobject.id 61-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /61-hmbc/61-hmbc.pdf test 0: !found IFD.property.fairspec.compound.id 61 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=61 test 0: !found IFD.property.dataobject.id 61-hmqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /61-hmqc/61-hmqc.pdf test 0: !found IFD.property.fairspec.compound.id 61 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=61 test 0: !found IFD.property.dataobject.id 61-cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /61-cosy/61-cosy.pdf test 0: !found IFD.property.fairspec.compound.id 61 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=61 test 0: !found IFD.property.dataobject.id TM-VI-191_2021-12-05T18-21-45 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /61-IR/TM-VI-191_2021-12-05T18-21-45.pdf test 0: !found IFD.property.fairspec.compound.id 61 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=61 test 0: !found IFD.property.dataobject.id 61-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /61-1H/61-1H.pdf test 0: !found IFD.property.fairspec.compound.id 61 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=61 test 0: !found IFD.property.dataobject.id 62-1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /62-1H/62-1H.pdf test 0: !found IFD.property.fairspec.compound.id 62 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=62 test 0: !found IFD.property.dataobject.id TM-VI-199_2021-12-05T18-36-17 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /62-IR/TM-VI-199_2021-12-05T18-36-17.pdf test 0: !found IFD.property.fairspec.compound.id 62 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=62 test 0: !found IFD.property.dataobject.id 62-hmqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /62-hmqc/62-hmqc.pdf test 0: !found IFD.property.fairspec.compound.id 62 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=62 test 0: !found IFD.property.dataobject.id 62-cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /62-cosy/62-cosy.pdf test 0: !found IFD.property.fairspec.compound.id 62 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=62 test 0: !found IFD.property.dataobject.id 62-13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /62-13C/62-13C.pdf test 0: !found IFD.property.fairspec.compound.id 62 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=62 test 0: !found IFD.property.dataobject.id 62-hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /62-hmbc/62-hmbc.pdf test 0: !found IFD.property.fairspec.compound.id 62 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=62 test 0: !found IFD.property.dataobject.id TM-VI-223_2022-01-21T15-36-49 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /65-IR/TM-VI-223_2022-01-21T15-36-49.pdf test 0: !found IFD.property.fairspec.compound.id 65 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=65 test 0: !found IFD.property.dataobject.id TM-VI-224_2021-12-20T14-47-43 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /66-IR/TM-VI-224_2021-12-20T14-47-43.pdf test 0: !found IFD.property.fairspec.compound.id 66 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=66 test 0: !found IFD.property.dataobject.id TM-VI-209_2021-12-13T15-09-54 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /70-IR/TM-VI-209_2021-12-13T15-09-54.pdf test 0: !found IFD.property.fairspec.compound.id 70 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=70 test 0: !Phase 2b found 0 IFD objects test 0: !Phase 2b file:/c:/temp/iupac/henry/v_acs/Archive.tar.gz {compound=IFD.property.fairspec.compound.id::*}{IFD.representation.dataobject.fairspec.nmr.vendor_dataset::/*/*/{IFD.property.dataobject.id::*}.pdf} test 0: !found IFD.property.dataobject.id 33-in CDCl3 cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.pdf test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 33-in CDCl3 hmqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-CDCl3/33-in CDCl3 hmqc/33-in CDCl3 hmqc.pdf test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 33-in CDCl3 1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.pdf test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 33-in CDCl3 13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.pdf test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 33-in CDCl3 hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.pdf test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 33-in acetone-d6 hmqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-acetone-d6/33-in acetone-d6 hmqc/33-in acetone-d6 hmqc.pdf test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 33-in acetone-d6 1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.pdf test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 33-in acetone-d6 hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.pdf test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 33-in acetone-d6 13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.pdf test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id 34-in CDCl3 cosy test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.pdf test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 34-in CDCl3 1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.pdf test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 34-in CDCl3 hsqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-CDCl3/34-in CDCl3 hsqc/34-in CDCl3 hsqc.pdf test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 34-in CDCl3 13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.pdf test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 34-in CDCl3 hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.pdf test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 34-in acetone-d6 hsqc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-acetone-d6/34-in acetone-d6 hsqc/34-in acetone-d6 hsqc.pdf test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 34-in acetone-d6 hmbc test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-acetone-d6/34-in acetone-d6 hmbc/34-in acetone-d6 hmbc.pdf test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 34-in acetone-d6 1H test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.pdf test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id 34-in acetone-d6 13C test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset /34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.pdf test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !Phase 2b found 0 IFD objects test 0: !Phase 2b file:/c:/temp/iupac/henry/v_acs/Archive.tar.gz {compound=IFD.property.fairspec.compound.id::*}{IFD.representation.dataobject.fairspec.xray.cif::/**/{IFD.property.dataobject.id::*.cif}} test 0: !found IFD.property.dataobject.id AB2127_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /5-X-ray/AB2127_x.cif test 0: !found IFD.property.fairspec.compound.id 5 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=5 test 0: !found IFD.property.dataobject.id AB2238_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /11-X-ray/AB2238_x.cif test 0: !found IFD.property.fairspec.compound.id 11 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=11 test 0: !found IFD.property.dataobject.id AB2120_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /12-X-ray/AB2120_x.cif test 0: !found IFD.property.fairspec.compound.id 12 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=12 test 0: !found IFD.property.dataobject.id AB2204_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /14-X-ray/AB2204_x.cif test 0: !found IFD.property.fairspec.compound.id 14 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=14 test 0: !found IFD.property.dataobject.id AB2118b.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /15-solvate-X-ray/AB2118b.cif test 0: !found IFD.property.fairspec.compound.id 15 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=15 test 0: !found IFD.property.dataobject.id AB2111.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /15-X-ray/AB2111.cif test 0: !found IFD.property.fairspec.compound.id 15 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=15 test 0: !found IFD.property.dataobject.id AB2116b_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /16-X-ray/AB2116b_x.cif test 0: !found IFD.property.fairspec.compound.id 16 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=16 test 0: !found IFD.property.dataobject.id AB2221_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /17-X-ray/AB2221_x.cif test 0: !found IFD.property.fairspec.compound.id 17 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=17 test 0: !found IFD.property.dataobject.id AB2115_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /18-X-ray/AB2115_x.cif test 0: !found IFD.property.fairspec.compound.id 18 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=18 test 0: !found IFD.property.dataobject.id AB2119_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /19-X-ray/AB2119_x.cif test 0: !found IFD.property.fairspec.compound.id 19 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=19 test 0: !found IFD.property.dataobject.id AB2117_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /20-X-ray/AB2117_x.cif test 0: !found IFD.property.fairspec.compound.id 20 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=20 test 0: !found IFD.property.dataobject.id AB2144_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /21-X-ray/AB2144_x.cif test 0: !found IFD.property.fairspec.compound.id 21 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=21 test 0: !found IFD.property.dataobject.id AB2123_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /24-X-ray/AB2123_x.cif test 0: !found IFD.property.fairspec.compound.id 24 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=24 test 0: !found IFD.property.dataobject.id AB2141_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /25-X-ray/AB2141_x.cif test 0: !found IFD.property.fairspec.compound.id 25 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=25 test 0: !found IFD.property.dataobject.id AB2218_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /28-X-ray/AB2218_x.cif test 0: !found IFD.property.fairspec.compound.id 28 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=28 test 0: !found IFD.property.dataobject.id AB2121_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /33-x-ray/AB2121_x.cif test 0: !found IFD.property.fairspec.compound.id 33 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=33 test 0: !found IFD.property.dataobject.id AB2124_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /34-X-Ray/AB2124_x.cif test 0: !found IFD.property.fairspec.compound.id 34 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=34 test 0: !found IFD.property.dataobject.id AB2149_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /37-X-ray/AB2149_x.cif test 0: !found IFD.property.fairspec.compound.id 37 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=37 test 0: !found IFD.property.dataobject.id AB2157_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /38-X-ray/AB2157_x.cif test 0: !found IFD.property.fairspec.compound.id 38 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=38 test 0: !found IFD.property.dataobject.id AB2143_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /39b-X-ray/AB2143_x.cif test 0: !found IFD.property.fairspec.compound.id 39 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=39 test 0: !found IFD.property.dataobject.id AB2146_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /39-X-ray/AB2146_x.cif test 0: !found IFD.property.fairspec.compound.id 39 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=39 test 0: !found IFD.property.dataobject.id AB2130_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /40-X-ray/AB2130_x.cif test 0: !found IFD.property.fairspec.compound.id 40 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=40 test 0: !found IFD.property.dataobject.id AB2207_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /42-X-ray/AB2207_x.cif test 0: !found IFD.property.fairspec.compound.id 42 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=42 test 0: !found IFD.property.dataobject.id AB2210_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /46-X-ray/AB2210_x.cif test 0: !found IFD.property.fairspec.compound.id 46 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=46 test 0: !found IFD.property.dataobject.id AB2133b_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /49-X-ray/AB2133b_x.cif test 0: !found IFD.property.fairspec.compound.id 49 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=49 test 0: !found IFD.property.dataobject.id AB2128_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /50-X-ray/AB2128_x.cif test 0: !found IFD.property.fairspec.compound.id 50 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=50 test 0: !found IFD.property.dataobject.id AB2208_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /53-X-ray/AB2208_x.cif test 0: !found IFD.property.fairspec.compound.id 53 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=53 test 0: !found IFD.property.dataobject.id AB2153_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /54-X-ray/AB2153_x.cif test 0: !found IFD.property.fairspec.compound.id 54 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=54 test 0: !found IFD.property.dataobject.id AB2246_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /55-X-ray/AB2246_x.cif test 0: !found IFD.property.fairspec.compound.id 55 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=55 test 0: !found IFD.property.dataobject.id AB2226_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /56-X-ray/AB2226_x.cif test 0: !found IFD.property.fairspec.compound.id 56 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=56 test 0: !found IFD.property.dataobject.id AB2212_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /57-x-ray/AB2212_x.cif test 0: !found IFD.property.fairspec.compound.id 57 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=57 test 0: !found IFD.property.dataobject.id AB2237_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /58-X-ray/AB2237_x.cif test 0: !found IFD.property.fairspec.compound.id 58 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=58 test 0: !found IFD.property.dataobject.id AB2241_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /60-X-ray/AB2241_x.cif test 0: !found IFD.property.fairspec.compound.id 60 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=60 test 0: !found IFD.property.dataobject.id AB2223_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /61-X-Ray/AB2223_x.cif test 0: !found IFD.property.fairspec.compound.id 61 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=61 test 0: !found IFD.property.dataobject.id AB2151_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /62-X-Ray/AB2151_x.cif test 0: !found IFD.property.fairspec.compound.id 62 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=62 test 0: !found IFD.property.dataobject.id AB2222_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /65-X-ray/AB2222_x.cif test 0: !found IFD.property.fairspec.compound.id 65 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=65 test 0: !found IFD.property.dataobject.id AB2202_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /66-X-ray/AB2202_x.cif test 0: !found IFD.property.fairspec.compound.id 66 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=66 test 0: !found IFD.property.dataobject.id AB2205_x.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /70-X-ray/AB2205_x.cif test 0: !found IFD.property.fairspec.compound.id 70 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=70 test 0: !found IFD.property.dataobject.id AB2301.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /73-x-ray/AB2301.cif test 0: !found IFD.property.fairspec.compound.id 73 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=73 test 0: !found IFD.property.dataobject.id LBTML2.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /74-x-ray/LBTML2.cif test 0: !found IFD.property.fairspec.compound.id 74 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=74 test 0: !found IFD.property.dataobject.id AB2307.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /75-x-ray/AB2307.cif test 0: !found IFD.property.fairspec.compound.id 75 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=75 test 0: !found IFD.property.dataobject.id LB-UO2L4.cif test 0: !found IFD.representation.dataobject.fairspec.xray.cif /76-x-ray/LB-UO2L4.cif test 0: !found IFD.property.fairspec.compound.id 76 test 0: !Extractor adding 9 metadata items for IFD.property.fairspec.compound.id=76 test 0: !Phase 2b found 0 IFD objects test 0: Phase 2.3 checking zip directory: 1 5/ test 0: Phase 2.3 checking zip directory: 2 5/5-13C in dmso-d6/ test 0: Phase 2.3 checking zip directory: 4 5/5-1H in dmso-d6/ test 0: Phase 2.3 checking zip directory: 6 5/5-X-ray/ test 0: Phase 2.3 checking zip directory: 8 5/5-13C in CD3OD/ test 0: Phase 2.3 checking zip directory: 9 5/5-IR/ test 0: Phase 2.3 checking zip directory: 12 5/5-1H in CD3OD/ test 0: Phase 2.3 checking zip directory: 2 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/ test 0: !Extractor Phase 2c rezipping 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\5_5-1H_in_CD3OD_5-1H_in_CD3OD.zip test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41 test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.4583 test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.zip addProperty IFD.property.dataobject.timestamp=2022-07-23T17:32:43+01:00 test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-07-23T17:32:44+01:00 test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 5_5-1H_in_CD3OD_5-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-0XX, unprot. pyr, CD3OD test 0: Phase 2.3 checking zip directory: 2 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/ test 0: !Extractor Phase 2c rezipping 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\5_5-13C_in_CD3OD_5-13C_in_CD3OD.zip test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.683175 test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.41 test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.0292 test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13q test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.zip addProperty IFD.property.dataobject.timestamp=2022-07-23T17:46:25+01:00 test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-07-23T17:46:27+01:00 test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 5_5-13C_in_CD3OD_5-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-0XX, unprot. pyr, CD3OD 13C test 0: Phase 2.3 checking zip directory: 2 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/ test 0: !Extractor Phase 2c rezipping 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.zip test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=DMSO test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2 test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.4812 test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.zip addProperty IFD.property.dataobject.timestamp=2022-03-21T18:23:44Z test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-03-21T18:23:44Z test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=DMSO test 0: 5_5-1H_in_dmso-d6_5-1H_in_dmso-d6.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-01X, dmso-d6 test 0: Phase 2.3 checking zip directory: 2 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/ test 0: !Extractor Phase 2c rezipping 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\5_5-13C_in_dmso-d6_5-13C_in_dmso-d6.zip test 0: 5_5-13C_in_dmso-d6_5-13C_in_dmso-d6.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 5_5-13C_in_dmso-d6_5-13C_in_dmso-d6.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=DMSO test 0: 5_5-13C_in_dmso-d6_5-13C_in_dmso-d6.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 5_5-13C_in_dmso-d6_5-13C_in_dmso-d6.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 5_5-13C_in_dmso-d6_5-13C_in_dmso-d6.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.63037 test 0: 5_5-13C_in_dmso-d6_5-13C_in_dmso-d6.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.2 test 0: 5_5-13C_in_dmso-d6_5-13C_in_dmso-d6.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 5_5-13C_in_dmso-d6_5-13C_in_dmso-d6.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.8824 test 0: 5_5-13C_in_dmso-d6_5-13C_in_dmso-d6.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 5_5-13C_in_dmso-d6_5-13C_in_dmso-d6.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13 test 0: 5_5-13C_in_dmso-d6_5-13C_in_dmso-d6.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 5_5-13C_in_dmso-d6_5-13C_in_dmso-d6.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 5_5-13C_in_dmso-d6_5-13C_in_dmso-d6.zip addProperty IFD.property.dataobject.timestamp=2022-05-10T21:19:56+01:00 test 0: 5_5-13C_in_dmso-d6_5-13C_in_dmso-d6.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-05-10T21:19:56+01:00 test 0: 5_5-13C_in_dmso-d6_5-13C_in_dmso-d6.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=DMSO test 0: 5_5-13C_in_dmso-d6_5-13C_in_dmso-d6.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-01X, dmso 13C new test 0: Phase 2.3 checking zip directory: 31 6/ test 0: Phase 2.3 checking zip directory: 33 6/6-cosy in CDCl3/ test 0: Phase 2.3 checking zip directory: 35 6/6-13C in CD3OD/ test 0: Phase 2.3 checking zip directory: 36 6/6-IR/ test 0: Phase 2.3 checking zip directory: 39 6/6-13C in CDCl3/ test 0: Phase 2.3 checking zip directory: 40 6/6-1H in CD3OD/ test 0: Phase 2.3 checking zip directory: 41 6/6-1H in CDCl3/ test 0: Phase 2.3 checking zip directory: 42 6/6-hmbc in CDCl3/ test 0: Phase 2.3 checking zip directory: 44 6/6-hsqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 2 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/ test 0: !Extractor Phase 2c rezipping 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.zip test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41 test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.683175 test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=293.7323 test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=hmbc test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.timestamp=2021-10-07T20:22:59+01:00 test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-10-07T20:22:59+01:00 test 0: 6_6-hmbc_in_CDCl3_6-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-111 hmbc test 0: Phase 2.3 checking zip directory: 2 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/ test 0: !Extractor Phase 2c rezipping 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\6_6-1H_in_CDCl3_6-1H_in_CDCl3.zip test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2 test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.0482 test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.zip addProperty IFD.property.dataobject.timestamp=2021-11-08T10:55:49Z test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-11-08T10:55:50Z test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 6_6-1H_in_CDCl3_6-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-152 test 0: Phase 2.3 checking zip directory: 2 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/ test 0: !Extractor Phase 2c rezipping 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\6_6-1H_in_CD3OD_6-1H_in_CD3OD.zip test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41 test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.4258 test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.zip addProperty IFD.property.dataobject.timestamp=2022-07-23T16:40:17+01:00 test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-07-23T16:40:18+01:00 test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 6_6-1H_in_CD3OD_6-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-152, Ph-pyr, CD3OD test 0: Phase 2.3 checking zip directory: 2 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/ test 0: !Extractor Phase 2c rezipping 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\6_6-13C_in_CDCl3_6-13C_in_CDCl3.zip test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.683175 test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.41 test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.6726 test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13q test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.zip addProperty IFD.property.dataobject.timestamp=2021-10-07T19:10:58+01:00 test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-10-07T19:10:59+01:00 test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 6_6-13C_in_CDCl3_6-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-111 13C test 0: Phase 2.3 checking zip directory: 2 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/ test 0: !Extractor Phase 2c rezipping 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\6_6-13C_in_CD3OD_6-13C_in_CD3OD.zip test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.683175 test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.41 test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.0656 test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13 test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.zip addProperty IFD.property.dataobject.timestamp=2022-07-23T17:14:13+01:00 test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-07-23T17:14:14+01:00 test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 6_6-13C_in_CD3OD_6-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-152, Ph-pyr, CD3OD 13C test 0: Phase 2.3 checking zip directory: 2 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/ test 0: !Extractor Phase 2c rezipping 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.zip test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41 test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=293.8326 test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=cosygpqf test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=cosy test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.zip addProperty IFD.property.dataobject.timestamp=2021-10-07T18:56:55+01:00 test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-10-07T18:56:56+01:00 test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 6_6-cosy_in_CDCl3_6-cosy_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-111 cosy test 0: Phase 2.3 checking zip directory: 74 8/ test 0: Phase 2.3 checking zip directory: 75 8/8-IR/ test 0: Phase 2.3 checking zip directory: 78 8/8-1H in CDCl3/ test 0: Phase 2.3 checking zip directory: 80 8/8-1H in CD3OD/ test 0: Phase 2.3 checking zip directory: 81 8/8-hmqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 82 8/8-hsqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 84 8/8-hmbc in CDCl3/ test 0: Phase 2.3 checking zip directory: 86 8/8-13C in CDCl3/ test 0: Phase 2.3 checking zip directory: 87 8/8-13C in CD3OD/ test 0: Phase 2.3 checking zip directory: 2 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/ test 0: !Extractor Phase 2c rezipping 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\8_8-13C_in_CD3OD_8-13C_in_CD3OD.zip test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.683175 test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.41 test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.015 test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13 test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.zip addProperty IFD.property.dataobject.timestamp=2022-07-23T16:37:56+01:00 test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-07-23T16:37:57+01:00 test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 8_8-13C_in_CD3OD_8-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-153, PMB-pyr, CD3OD 13C test 0: Phase 2.3 checking zip directory: 2 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/ test 0: !Extractor Phase 2c rezipping 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\8_8-13C_in_CDCl3_8-13C_in_CDCl3.zip test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.63037 test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.2 test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.1943 test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13q test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.zip addProperty IFD.property.dataobject.timestamp=2021-09-09T18:33:19+01:00 test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-09-09T18:33:20+01:00 test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 8_8-13C_in_CDCl3_8-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-090 13C test 0: Phase 2.3 checking zip directory: 2 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/ test 0: !Extractor Phase 2c rezipping 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.zip test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41 test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.683175 test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.7924 test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=hmbc test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.timestamp=2021-09-06T23:34:10+01:00 test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-09-06T23:34:11+01:00 test 0: 8_8-hmbc_in_CDCl3_8-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-084mfr hmbc test 0: Phase 2.3 checking zip directory: 2 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/ test 0: !Extractor Phase 2c rezipping 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\8_8-1H_in_CD3OD_8-1H_in_CD3OD.zip test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41 test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.0066 test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.zip addProperty IFD.property.dataobject.timestamp=2022-07-23T16:03:41+01:00 test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-07-23T16:03:41+01:00 test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 8_8-1H_in_CD3OD_8-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-153, PMB-pyr, CD3OD test 0: Phase 2.3 checking zip directory: 2 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/ test 0: !Extractor Phase 2c rezipping 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\8_8-1H_in_CDCl3_8-1H_in_CDCl3.zip test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2 test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.0075 test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.zip addProperty IFD.property.dataobject.timestamp=2021-11-08T10:52:16Z test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-11-08T10:52:17Z test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 8_8-1H_in_CDCl3_8-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-151 test 0: Phase 2.3 checking zip directory: 113 9/ test 0: Phase 2.3 checking zip directory: 114 9/9-enol-HMBC/ test 0: Phase 2.3 checking zip directory: 115 9/9-enol-13C/ test 0: Phase 2.3 checking zip directory: 116 9/9-IR/ test 0: Phase 2.3 checking zip directory: 118 9/9-enol-HSQC/ test 0: Phase 2.3 checking zip directory: 119 9/9-keto-13C/ test 0: Phase 2.3 checking zip directory: 120 9/9-enol-1H/ test 0: Phase 2.3 checking zip directory: 124 9/9-enol-HMQC/ test 0: Phase 2.3 checking zip directory: 126 9/9-enol-cosy/ test 0: Phase 2.3 checking zip directory: 127 9/9-enolHMBC/ test 0: Phase 2.3 checking zip directory: 129 9/9-keto-1H/ test 0: Phase 2.3 checking zip directory: 2 9/9-keto-1H/9-keto form 1H.zip|20/ test 0: !Extractor Phase 2c rezipping 9/9-keto-1H/9-keto form 1H.zip|20/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\9_9-keto-1H_9-keto_form_1H.zip test 0: 9_9-keto-1H_9-keto_form_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 9_9-keto-1H_9-keto_form_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 9_9-keto-1H_9-keto_form_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 9_9-keto-1H_9-keto_form_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2 test 0: 9_9-keto-1H_9-keto_form_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 9_9-keto-1H_9-keto_form_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.786 test 0: 9_9-keto-1H_9-keto_form_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 9_9-keto-1H_9-keto_form_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 9_9-keto-1H_9-keto_form_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 9_9-keto-1H_9-keto_form_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 9_9-keto-1H_9-keto_form_1H.zip addProperty IFD.property.dataobject.timestamp=2022-03-09T10:27:43Z test 0: 9_9-keto-1H_9-keto_form_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-03-09T10:27:44Z test 0: 9_9-keto-1H_9-keto_form_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 9_9-keto-1H_9-keto_form_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-295 test 0: Phase 2.3 checking zip directory: 2 9/9-enol-cosy/9-enol form cosy.zip|11/ test 0: !Extractor Phase 2c rezipping 9/9-enol-cosy/9-enol form cosy.zip|11/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\9_9-enol-cosy_9-enol_form_cosy.zip test 0: 9_9-enol-cosy_9-enol_form_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 9_9-enol-cosy_9-enol_form_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 9_9-enol-cosy_9-enol_form_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 9_9-enol-cosy_9-enol_form_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 9_9-enol-cosy_9-enol_form_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.32 test 0: 9_9-enol-cosy_9-enol_form_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 9_9-enol-cosy_9-enol_form_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.7496 test 0: 9_9-enol-cosy_9-enol_form_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=cosygpqf test 0: 9_9-enol-cosy_9-enol_form_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=cosy test 0: 9_9-enol-cosy_9-enol_form_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 9_9-enol-cosy_9-enol_form_cosy.zip addProperty IFD.property.dataobject.timestamp=2022-01-13T15:54:21Z test 0: 9_9-enol-cosy_9-enol_form_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-01-13T15:54:21Z test 0: 9_9-enol-cosy_9-enol_form_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 9_9-enol-cosy_9-enol_form_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-221 cosy test 0: Phase 2.3 checking zip directory: 2 9/9-enol-1H/9-enol form 1H.zip|10/ test 0: !Extractor Phase 2c rezipping 9/9-enol-1H/9-enol form 1H.zip|10/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\9_9-enol-1H_9-enol_form_1H.zip test 0: 9_9-enol-1H_9-enol_form_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 9_9-enol-1H_9-enol_form_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 9_9-enol-1H_9-enol_form_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 9_9-enol-1H_9-enol_form_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2 test 0: 9_9-enol-1H_9-enol_form_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 9_9-enol-1H_9-enol_form_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.4849 test 0: 9_9-enol-1H_9-enol_form_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 9_9-enol-1H_9-enol_form_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 9_9-enol-1H_9-enol_form_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 9_9-enol-1H_9-enol_form_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 9_9-enol-1H_9-enol_form_1H.zip addProperty IFD.property.dataobject.timestamp=2022-01-12T11:03:25Z test 0: 9_9-enol-1H_9-enol_form_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-01-12T11:03:26Z test 0: 9_9-enol-1H_9-enol_form_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 9_9-enol-1H_9-enol_form_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-221 test 0: Phase 2.3 checking zip directory: 2 9/9-keto-13C/9-keto form 13C.zip|21/ test 0: !Extractor Phase 2c rezipping 9/9-keto-13C/9-keto form 13C.zip|21/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\9_9-keto-13C_9-keto_form_13C.zip test 0: 9_9-keto-13C_9-keto_form_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 9_9-keto-13C_9-keto_form_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 9_9-keto-13C_9-keto_form_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 9_9-keto-13C_9-keto_form_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 9_9-keto-13C_9-keto_form_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.63037 test 0: 9_9-keto-13C_9-keto_form_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.2 test 0: 9_9-keto-13C_9-keto_form_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 9_9-keto-13C_9-keto_form_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.906 test 0: 9_9-keto-13C_9-keto_form_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 9_9-keto-13C_9-keto_form_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13 test 0: 9_9-keto-13C_9-keto_form_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 9_9-keto-13C_9-keto_form_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 9_9-keto-13C_9-keto_form_13C.zip addProperty IFD.property.dataobject.timestamp=2022-03-09T22:57:31Z test 0: 9_9-keto-13C_9-keto_form_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-03-09T22:57:32Z test 0: 9_9-keto-13C_9-keto_form_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 9_9-keto-13C_9-keto_form_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-295 13C test 0: Phase 2.3 checking zip directory: 2 9/9-enol-13C/9-enol form 13C.zip|13/ test 0: !Extractor Phase 2c rezipping 9/9-enol-13C/9-enol form 13C.zip|13/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\9_9-enol-13C_9-enol_form_13C.zip test 0: 9_9-enol-13C_9-enol_form_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 9_9-enol-13C_9-enol_form_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 9_9-enol-13C_9-enol_form_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 9_9-enol-13C_9-enol_form_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 9_9-enol-13C_9-enol_form_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.660544 test 0: 9_9-enol-13C_9-enol_form_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.32 test 0: 9_9-enol-13C_9-enol_form_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 9_9-enol-13C_9-enol_form_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.8601 test 0: 9_9-enol-13C_9-enol_form_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 9_9-enol-13C_9-enol_form_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13 test 0: 9_9-enol-13C_9-enol_form_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 9_9-enol-13C_9-enol_form_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 9_9-enol-13C_9-enol_form_13C.zip addProperty IFD.property.dataobject.timestamp=2022-01-13T22:22:13Z test 0: 9_9-enol-13C_9-enol_form_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-01-13T22:22:14Z test 0: 9_9-enol-13C_9-enol_form_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 9_9-enol-13C_9-enol_form_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-221 13C test 0: Phase 2.3 checking zip directory: 2 9/9-enol-HMBC/9-enol form hmbc.zip|14/ test 0: !Extractor Phase 2c rezipping 9/9-enol-HMBC/9-enol form hmbc.zip|14/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\9_9-enol-HMBC_9-enol_form_hmbc.zip test 0: 9_9-enol-HMBC_9-enol_form_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 9_9-enol-HMBC_9-enol_form_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 9_9-enol-HMBC_9-enol_form_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 9_9-enol-HMBC_9-enol_form_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 9_9-enol-HMBC_9-enol_form_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 9_9-enol-HMBC_9-enol_form_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.32 test 0: 9_9-enol-HMBC_9-enol_form_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.660544 test 0: 9_9-enol-HMBC_9-enol_form_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 9_9-enol-HMBC_9-enol_form_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.5049 test 0: 9_9-enol-HMBC_9-enol_form_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 9_9-enol-HMBC_9-enol_form_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=hmbc test 0: 9_9-enol-HMBC_9-enol_form_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 9_9-enol-HMBC_9-enol_form_hmbc.zip addProperty IFD.property.dataobject.timestamp=2022-01-13T22:43:07Z test 0: 9_9-enol-HMBC_9-enol_form_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-01-13T22:43:08Z test 0: 9_9-enol-HMBC_9-enol_form_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-221 hmbc test 0: Phase 2.3 checking zip directory: 159 10/ test 0: Phase 2.3 checking zip directory: 160 10/10-cosy in CDCl3/ test 0: Phase 2.3 checking zip directory: 162 10/10-IR/ test 0: Phase 2.3 checking zip directory: 163 10/10-1H in CD3OD/ test 0: Phase 2.3 checking zip directory: 164 10/10-1H in CDCl3/ test 0: Phase 2.3 checking zip directory: 167 10/10-13C in CDCl3/ test 0: Phase 2.3 checking zip directory: 169 10/10-13C in CD3OD/ test 0: Phase 2.3 checking zip directory: 170 10/10-hmbc in CDCl3/ test 0: Phase 2.3 checking zip directory: 172 10/10-hmqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 173 10/10-hsqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 2 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/ test 0: !Extractor Phase 2c rezipping 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.zip test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41 test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.683175 test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.8151 test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=hmbc test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.timestamp=2021-11-17T00:57:46Z test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-11-17T00:57:46Z test 0: 10_10-hmbc_in_CDCl3_10-hmbc_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-167 hmbc test 0: Phase 2.3 checking zip directory: 2 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/ test 0: !Extractor Phase 2c rezipping 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\10_10-13C_in_CD3OD_10-13C_in_CD3OD.zip test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.683175 test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.41 test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.0579 test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13q test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.zip addProperty IFD.property.dataobject.timestamp=2022-07-23T17:30:23+01:00 test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-07-23T17:30:24+01:00 test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 10_10-13C_in_CD3OD_10-13C_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-285, Bz-pyr, CD3OD 13C test 0: Phase 2.3 checking zip directory: 2 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/ test 0: !Extractor Phase 2c rezipping 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\10_10-13C_in_CDCl3_10-13C_in_CDCl3.zip test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.683175 test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.41 test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.0726 test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13 test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.zip addProperty IFD.property.dataobject.timestamp=2021-11-17T00:37:28Z test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-11-17T00:37:28Z test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 10_10-13C_in_CDCl3_10-13C_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-167 13C test 0: Phase 2.3 checking zip directory: 2 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/ test 0: !Extractor Phase 2c rezipping 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\10_10-1H_in_CDCl3_10-1H_in_CDCl3.zip test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41 test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.2077 test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.zip addProperty IFD.property.dataobject.timestamp=2021-11-16T16:20:34Z test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-11-16T16:20:34Z test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 10_10-1H_in_CDCl3_10-1H_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-167 test 0: Phase 2.3 checking zip directory: 2 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/ test 0: !Extractor Phase 2c rezipping 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\10_10-1H_in_CD3OD_10-1H_in_CD3OD.zip test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41 test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.4547 test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.zip addProperty IFD.property.dataobject.timestamp=2022-07-23T17:16:41+01:00 test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-07-23T17:16:42+01:00 test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 10_10-1H_in_CD3OD_10-1H_in_CD3OD.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-285, Bz-pyr, CD3OD test 0: Phase 2.3 checking zip directory: 2 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/ test 0: !Extractor Phase 2c rezipping 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.zip test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41 test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.2001 test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=cosygpqf test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=cosy test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.zip addProperty IFD.property.dataobject.timestamp=2021-11-16T18:17:44Z test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-11-16T18:17:45Z test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 10_10-cosy_in_CDCl3_10-cosy_in_CDCl3.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-167 cosy test 0: Phase 2.3 checking zip directory: 203 11/ test 0: Phase 2.3 checking zip directory: 204 11/11-IR/ test 0: Phase 2.3 checking zip directory: 205 11/11-1H/ test 0: Phase 2.3 checking zip directory: 206 11/11-cosy/ test 0: Phase 2.3 checking zip directory: 209 11/11-hsqc/ test 0: Phase 2.3 checking zip directory: 210 11/11-X-ray/ test 0: Phase 2.3 checking zip directory: 213 11/11-hmbc/ test 0: Phase 2.3 checking zip directory: 215 11/11-13C/ test 0: Phase 2.3 checking zip directory: 2 11/11-13C/11-13C.zip|63/ test 0: !Extractor Phase 2c rezipping 11/11-13C/11-13C.zip|63/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\11_11-13C_11-13C.zip test 0: 11_11-13C_11-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 11_11-13C_11-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 11_11-13C_11-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 11_11-13C_11-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 11_11-13C_11-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.63037 test 0: 11_11-13C_11-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.2 test 0: 11_11-13C_11-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 11_11-13C_11-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=296.0438 test 0: 11_11-13C_11-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 11_11-13C_11-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13 test 0: 11_11-13C_11-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 11_11-13C_11-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 11_11-13C_11-13C.zip addProperty IFD.property.dataobject.timestamp=2022-01-24T23:05:38Z test 0: 11_11-13C_11-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-01-24T23:05:38Z test 0: 11_11-13C_11-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 11_11-13C_11-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-251, Na+PMB-pyr 13C test 0: Phase 2.3 checking zip directory: 2 11/11-hmbc/11-hmbc.zip|64/ test 0: !Extractor Phase 2c rezipping 11/11-hmbc/11-hmbc.zip|64/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\11_11-hmbc_11-hmbc.zip test 0: 11_11-hmbc_11-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 11_11-hmbc_11-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 11_11-hmbc_11-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 11_11-hmbc_11-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 11_11-hmbc_11-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 11_11-hmbc_11-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2 test 0: 11_11-hmbc_11-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.63037 test 0: 11_11-hmbc_11-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 11_11-hmbc_11-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.7851 test 0: 11_11-hmbc_11-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 11_11-hmbc_11-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=hmbc test 0: 11_11-hmbc_11-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 11_11-hmbc_11-hmbc.zip addProperty IFD.property.dataobject.timestamp=2022-01-24T23:25:54Z test 0: 11_11-hmbc_11-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-01-24T23:25:55Z test 0: 11_11-hmbc_11-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-251, Na+PMB-pyr hmbc test 0: Phase 2.3 checking zip directory: 2 11/11-1H/11-1H.zip|60/ test 0: !Extractor Phase 2c rezipping 11/11-1H/11-1H.zip|60/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\11_11-1H_11-1H.zip test 0: 11_11-1H_11-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 11_11-1H_11-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 11_11-1H_11-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 11_11-1H_11-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2 test 0: 11_11-1H_11-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 11_11-1H_11-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.5767 test 0: 11_11-1H_11-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 11_11-1H_11-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 11_11-1H_11-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 11_11-1H_11-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 11_11-1H_11-1H.zip addProperty IFD.property.dataobject.timestamp=2022-01-24T17:11:41Z test 0: 11_11-1H_11-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-01-24T17:11:41Z test 0: 11_11-1H_11-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 11_11-1H_11-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-251, Na+PMB-pyr test 0: Phase 2.3 checking zip directory: 238 12/ test 0: Phase 2.3 checking zip directory: 239 12/12-hmbc/ test 0: Phase 2.3 checking zip directory: 240 12/12-hsqc/ test 0: Phase 2.3 checking zip directory: 244 12/12-1H/ test 0: Phase 2.3 checking zip directory: 245 12/12-X-ray/ test 0: Phase 2.3 checking zip directory: 246 12/12-cosy/ test 0: Phase 2.3 checking zip directory: 247 12/12-13C/ test 0: Phase 2.3 checking zip directory: 248 12/12-IR/ test 0: Phase 2.3 checking zip directory: 2 12/12-13C/12-13C.zip|73/ test 0: !Extractor Phase 2c rezipping 12/12-13C/12-13C.zip|73/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\12_12-13C_12-13C.zip test 0: 12_12-13C_12-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 12_12-13C_12-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 12_12-13C_12-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 12_12-13C_12-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 12_12-13C_12-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.63037 test 0: 12_12-13C_12-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.2 test 0: 12_12-13C_12-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 12_12-13C_12-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.9974 test 0: 12_12-13C_12-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 12_12-13C_12-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13 test 0: 12_12-13C_12-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 12_12-13C_12-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 12_12-13C_12-13C.zip addProperty IFD.property.dataobject.timestamp=2022-01-25T00:00:15Z test 0: 12_12-13C_12-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-01-25T00:00:16Z test 0: 12_12-13C_12-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 12_12-13C_12-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-252, Na+Ph-pyr 13C test 0: Phase 2.3 checking zip directory: 2 12/12-1H/12-1H.zip|70/ test 0: !Extractor Phase 2c rezipping 12/12-1H/12-1H.zip|70/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\12_12-1H_12-1H.zip test 0: 12_12-1H_12-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 12_12-1H_12-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 12_12-1H_12-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 12_12-1H_12-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2 test 0: 12_12-1H_12-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 12_12-1H_12-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.5742 test 0: 12_12-1H_12-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 12_12-1H_12-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 12_12-1H_12-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 12_12-1H_12-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 12_12-1H_12-1H.zip addProperty IFD.property.dataobject.timestamp=2022-01-24T17:14:22Z test 0: 12_12-1H_12-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-01-24T17:14:23Z test 0: 12_12-1H_12-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 12_12-1H_12-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-252, Na+Ph-pyr test 0: Phase 2.3 checking zip directory: 273 14/ test 0: Phase 2.3 checking zip directory: 274 14/14-1H/ test 0: Phase 2.3 checking zip directory: 275 14/14-IR/ test 0: Phase 2.3 checking zip directory: 276 14/14-hsqc/ test 0: Phase 2.3 checking zip directory: 278 14/14-hmbc/ test 0: Phase 2.3 checking zip directory: 279 14/14-cosy/ test 0: Phase 2.3 checking zip directory: 282 14/14-13C/ test 0: Phase 2.3 checking zip directory: 285 14/14-X-ray/ test 0: Phase 2.3 checking zip directory: 2 14/14-13C/14-13C.zip|93/ test 0: !Extractor Phase 2c rezipping 14/14-13C/14-13C.zip|93/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\14_14-13C_14-13C.zip test 0: 14_14-13C_14-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 14_14-13C_14-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 14_14-13C_14-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 14_14-13C_14-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 14_14-13C_14-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.63037 test 0: 14_14-13C_14-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.2 test 0: 14_14-13C_14-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 14_14-13C_14-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.9758 test 0: 14_14-13C_14-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 14_14-13C_14-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13 test 0: 14_14-13C_14-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 14_14-13C_14-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 14_14-13C_14-13C.zip addProperty IFD.property.dataobject.timestamp=2022-01-25T00:54:52Z test 0: 14_14-13C_14-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-01-25T00:54:53Z test 0: 14_14-13C_14-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 14_14-13C_14-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-254, Na+unprotect. pyr. 13C test 0: Phase 2.3 checking zip directory: 2 14/14-1H/14-1H.zip|90/ test 0: !Extractor Phase 2c rezipping 14/14-1H/14-1H.zip|90/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\14_14-1H_14-1H.zip test 0: 14_14-1H_14-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 14_14-1H_14-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 14_14-1H_14-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 14_14-1H_14-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2 test 0: 14_14-1H_14-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 14_14-1H_14-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.5847 test 0: 14_14-1H_14-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 14_14-1H_14-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 14_14-1H_14-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 14_14-1H_14-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 14_14-1H_14-1H.zip addProperty IFD.property.dataobject.timestamp=2022-01-24T17:19:45Z test 0: 14_14-1H_14-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-01-24T17:19:45Z test 0: 14_14-1H_14-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 14_14-1H_14-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-254, Na+unprotect. pyr. test 0: Phase 2.3 checking zip directory: 308 15/ test 0: Phase 2.3 checking zip directory: 309 15/15-IR/ test 0: Phase 2.3 checking zip directory: 310 15/15-1H/ test 0: Phase 2.3 checking zip directory: 313 15/15-X-ray/ test 0: Phase 2.3 checking zip directory: 314 15/15-solvate-X-ray/ test 0: Phase 2.3 checking zip directory: 316 15/15-13C/ test 0: Phase 2.3 checking zip directory: 2 15/15-13C/15b-13C.zip|32/ test 0: !Extractor Phase 2c rezipping 15/15-13C/15b-13C.zip|32/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\15_15-13C_15b-13C.zip test 0: 15_15-13C_15b-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 15_15-13C_15b-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 15_15-13C_15b-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 15_15-13C_15b-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 15_15-13C_15b-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.683175 test 0: 15_15-13C_15b-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.41 test 0: 15_15-13C_15b-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 15_15-13C_15b-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.2181 test 0: 15_15-13C_15b-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 15_15-13C_15b-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13 test 0: 15_15-13C_15b-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 15_15-13C_15b-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 15_15-13C_15b-13C.zip addProperty IFD.property.dataobject.timestamp=2022-02-18T23:01:23Z test 0: 15_15-13C_15b-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-02-18T23:01:24Z test 0: 15_15-13C_15b-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 15_15-13C_15b-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-259, rpt2 13C test 0: Phase 2.3 checking zip directory: 2 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/ test 0: 15_15-13C_15b-13C.zip addProperty IFD.property.dataobject.note=Extractor correcting Bruker directory name to 15_15-1H_15b-1H.zip..Mg-Pmb_complex_1H.zip|1/ test 0: !Extractor correcting Bruker directory name to 15_15-1H_15b-1H.zip..Mg-Pmb_complex_1H.zip|1/ test 0: !Extractor Phase 2c rezipping 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\15_15-1H_15b-1H.zip..Mg-Pmb_complex_1H.zip test 0: 15_15-1H_15b-1H.zip..Mg-Pmb_complex_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 15_15-1H_15b-1H.zip..Mg-Pmb_complex_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 15_15-1H_15b-1H.zip..Mg-Pmb_complex_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 15_15-1H_15b-1H.zip..Mg-Pmb_complex_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41 test 0: 15_15-1H_15b-1H.zip..Mg-Pmb_complex_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 15_15-1H_15b-1H.zip..Mg-Pmb_complex_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.123 test 0: 15_15-1H_15b-1H.zip..Mg-Pmb_complex_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 15_15-1H_15b-1H.zip..Mg-Pmb_complex_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 15_15-1H_15b-1H.zip..Mg-Pmb_complex_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 15_15-1H_15b-1H.zip..Mg-Pmb_complex_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 15_15-1H_15b-1H.zip..Mg-Pmb_complex_1H.zip addProperty IFD.property.dataobject.timestamp=2022-02-18T12:07:54Z test 0: 15_15-1H_15b-1H.zip..Mg-Pmb_complex_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-02-18T12:07:55Z test 0: 15_15-1H_15b-1H.zip..Mg-Pmb_complex_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 15_15-1H_15b-1H.zip..Mg-Pmb_complex_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-259, rpt2 test 0: Phase 2.3 checking zip directory: 2 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/ test 0: 15_15-1H_15b-1H.zip..Mg-Pmb_complex_1H.zip addProperty IFD.property.dataobject.note=Extractor correcting Bruker directory name to 15_15-1H_15b-1H-a.zip..Mg-Pmb_complex_1H_(long_exp).zip|1/ test 0: !Extractor correcting Bruker directory name to 15_15-1H_15b-1H-a.zip..Mg-Pmb_complex_1H_(long_exp).zip|1/ test 0: !Extractor Phase 2c rezipping 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\15_15-1H_15b-1H-a.zip..Mg-Pmb_complex_1H_(long_exp).zip test 0: 15_15-1H_15b-1H-a.zip..Mg-Pmb_complex_1H_(long_exp).zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 15_15-1H_15b-1H-a.zip..Mg-Pmb_complex_1H_(long_exp).zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 15_15-1H_15b-1H-a.zip..Mg-Pmb_complex_1H_(long_exp).zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 15_15-1H_15b-1H-a.zip..Mg-Pmb_complex_1H_(long_exp).zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41 test 0: 15_15-1H_15b-1H-a.zip..Mg-Pmb_complex_1H_(long_exp).zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 15_15-1H_15b-1H-a.zip..Mg-Pmb_complex_1H_(long_exp).zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.1041 test 0: 15_15-1H_15b-1H-a.zip..Mg-Pmb_complex_1H_(long_exp).zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 15_15-1H_15b-1H-a.zip..Mg-Pmb_complex_1H_(long_exp).zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton128 test 0: 15_15-1H_15b-1H-a.zip..Mg-Pmb_complex_1H_(long_exp).zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 15_15-1H_15b-1H-a.zip..Mg-Pmb_complex_1H_(long_exp).zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 15_15-1H_15b-1H-a.zip..Mg-Pmb_complex_1H_(long_exp).zip addProperty IFD.property.dataobject.timestamp=2022-02-18T12:33:34Z test 0: 15_15-1H_15b-1H-a.zip..Mg-Pmb_complex_1H_(long_exp).zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-02-18T12:33:35Z test 0: 15_15-1H_15b-1H-a.zip..Mg-Pmb_complex_1H_(long_exp).zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 15_15-1H_15b-1H-a.zip..Mg-Pmb_complex_1H_(long_exp).zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-259, rpt2 long proton test 0: Phase 2.3 checking zip directory: 334 16/ test 0: Phase 2.3 checking zip directory: 337 16/16-hmbc/ test 0: Phase 2.3 checking zip directory: 340 16/16-1H/ test 0: Phase 2.3 checking zip directory: 341 16/16-13C/ test 0: Phase 2.3 checking zip directory: 342 16/16-X-ray/ test 0: Phase 2.3 checking zip directory: 344 16/16-IR/ test 0: Phase 2.3 checking zip directory: 345 16/16-hsqc/ test 0: Phase 2.3 checking zip directory: 2 16/16-13C/16-13C.zip|51/ test 0: !Extractor Phase 2c rezipping 16/16-13C/16-13C.zip|51/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\16_16-13C_16-13C.zip test 0: 16_16-13C_16-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 16_16-13C_16-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 16_16-13C_16-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 16_16-13C_16-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 16_16-13C_16-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.683175 test 0: 16_16-13C_16-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.41 test 0: 16_16-13C_16-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 16_16-13C_16-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.8624 test 0: 16_16-13C_16-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 16_16-13C_16-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13 test 0: 16_16-13C_16-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 16_16-13C_16-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 16_16-13C_16-13C.zip addProperty IFD.property.dataobject.timestamp=2021-10-20T21:11:40+01:00 test 0: 16_16-13C_16-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-10-20T21:11:40+01:00 test 0: 16_16-13C_16-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 16_16-13C_16-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-104 Mg+Ph-pyrraz. 13C test 0: Phase 2.3 checking zip directory: 2 16/16-1H/16-1H.zip|50/ test 0: !Extractor Phase 2c rezipping 16/16-1H/16-1H.zip|50/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\16_16-1H_16-1H.zip test 0: 16_16-1H_16-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 16_16-1H_16-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 16_16-1H_16-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 16_16-1H_16-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41 test 0: 16_16-1H_16-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 16_16-1H_16-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.298 test 0: 16_16-1H_16-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 16_16-1H_16-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 16_16-1H_16-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 16_16-1H_16-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 16_16-1H_16-1H.zip addProperty IFD.property.dataobject.timestamp=2021-10-20T15:08:16+01:00 test 0: 16_16-1H_16-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-10-20T15:08:17+01:00 test 0: 16_16-1H_16-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 16_16-1H_16-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-104 Mg+Ph-pyrraz. test 0: Phase 2.3 checking zip directory: 364 17/ test 0: Phase 2.3 checking zip directory: 367 17/17-cosy/ test 0: Phase 2.3 checking zip directory: 369 17/17-hmbc/ test 0: Phase 2.3 checking zip directory: 370 17/17-X-ray/ test 0: Phase 2.3 checking zip directory: 371 17/17-hsqc/ test 0: Phase 2.3 checking zip directory: 372 17/17-IR/ test 0: Phase 2.3 checking zip directory: 374 17/17-13C/ test 0: Phase 2.3 checking zip directory: 375 17/17-1H/ test 0: Phase 2.3 checking zip directory: 2 17/17-1H/17-1H.zip|50/ test 0: !Extractor Phase 2c rezipping 17/17-1H/17-1H.zip|50/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\17_17-1H_17-1H.zip test 0: 17_17-1H_17-1H.zip addProperty 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17_17-1H_17-1H.zip addProperty IFD.property.dataobject.timestamp=2021-11-18T13:19:34Z test 0: 17_17-1H_17-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-11-18T13:19:34Z test 0: 17_17-1H_17-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 17_17-1H_17-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-169 acetone-d6 Mg+Bz-pyr. test 0: Phase 2.3 checking zip directory: 2 17/17-13C/17-13C.zip|1/ test 0: !Extractor Phase 2c rezipping 17/17-13C/17-13C.zip|1/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\17_17-13C_17-13C.zip test 0: 17_17-13C_17-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 17_17-13C_17-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 17_17-13C_17-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 17_17-13C_17-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 17_17-13C_17-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.592653 test 0: 17_17-13C_17-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.05 test 0: 17_17-13C_17-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 17_17-13C_17-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=298.0004 test 0: 17_17-13C_17-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 17_17-13C_17-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13f test 0: 17_17-13C_17-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 17_17-13C_17-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z116098/0188 test 0: 17_17-13C_17-13C.zip addProperty IFD.property.dataobject.timestamp=2022-02-22T09:29:51Z test 0: 17_17-13C_17-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-02-22T09:56:13Z test 0: 17_17-13C_17-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=DMSO test 0: 17_17-13C_17-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=T Mies ; agmb ; TM-V1-260 in CD3OD ; 13C{1H} NMR Spectrum using Av400D ; Feb21-2022 / 1 test 0: Phase 2.3 checking zip directory: 399 18/ test 0: Phase 2.3 checking zip directory: 400 18/18-X-ray/ test 0: Phase 2.3 checking zip directory: 401 18/18-hsqc/ test 0: Phase 2.3 checking zip directory: 403 18/18-13C/ test 0: Phase 2.3 checking zip directory: 405 18/18-hmbc/ test 0: Phase 2.3 checking zip directory: 407 18/18-1H/ test 0: Phase 2.3 checking zip directory: 408 18/18-IR/ test 0: Phase 2.3 checking zip directory: 2 18/18-1H/18-1H.zip|70/ test 0: !Extractor Phase 2c rezipping 18/18-1H/18-1H.zip|70/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\18_18-1H_18-1H.zip test 0: 18_18-1H_18-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 18_18-1H_18-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=DMSO_weak test 0: 18_18-1H_18-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 18_18-1H_18-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41 test 0: 18_18-1H_18-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 18_18-1H_18-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.2344 test 0: 18_18-1H_18-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 18_18-1H_18-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 18_18-1H_18-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 18_18-1H_18-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 18_18-1H_18-1H.zip addProperty IFD.property.dataobject.timestamp=2021-10-20T15:13:14+01:00 test 0: 18_18-1H_18-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-10-20T15:13:14+01:00 test 0: 18_18-1H_18-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 18_18-1H_18-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-106solid Mg+unprotect.-pyrraz. d6-dmso. test 0: Phase 2.3 checking zip directory: 2 18/18-13C/18-13C.zip|71/ test 0: !Extractor Phase 2c rezipping 18/18-13C/18-13C.zip|71/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\18_18-13C_18-13C.zip test 0: 18_18-13C_18-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 18_18-13C_18-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=DMSO_weak test 0: 18_18-13C_18-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 18_18-13C_18-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 18_18-13C_18-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.683175 test 0: 18_18-13C_18-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.41 test 0: 18_18-13C_18-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 18_18-13C_18-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.1558 test 0: 18_18-13C_18-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 18_18-13C_18-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13q test 0: 18_18-13C_18-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 18_18-13C_18-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 18_18-13C_18-13C.zip addProperty IFD.property.dataobject.timestamp=2021-10-20T16:59:12+01:00 test 0: 18_18-13C_18-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-10-20T16:59:13+01:00 test 0: 18_18-13C_18-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 18_18-13C_18-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-106solid Mg+unprotect.-pyrraz. d6-dmso. 13C test 0: Phase 2.3 checking zip directory: 429 19/ test 0: Phase 2.3 checking zip directory: 431 19/19-hsqc/ test 0: Phase 2.3 checking zip directory: 434 19/19-13C/ test 0: Phase 2.3 checking zip directory: 436 19/19-X-ray/ test 0: Phase 2.3 checking zip directory: 437 19/19-hmbc/ test 0: Phase 2.3 checking zip directory: 438 19/19-IR/ test 0: Phase 2.3 checking zip directory: 439 19/19-1H/ test 0: Phase 2.3 checking zip directory: 2 19/19-1H/19-1H.zip|20/ test 0: !Extractor Phase 2c rezipping 19/19-1H/19-1H.zip|20/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\19_19-1H_19-1H.zip test 0: 19_19-1H_19-1H.zip addProperty 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19_19-1H_19-1H.zip addProperty IFD.property.dataobject.timestamp=2021-10-20T15:58:39+01:00 test 0: 19_19-1H_19-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-10-20T15:58:40+01:00 test 0: 19_19-1H_19-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 19_19-1H_19-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-108solid Ca+pmb-pyrraz. batch 2 test 0: Phase 2.3 checking zip directory: 2 19/19-13C/19-13C.zip|21/ test 0: !Extractor Phase 2c rezipping 19/19-13C/19-13C.zip|21/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\19_19-13C_19-13C.zip test 0: 19_19-13C_19-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 19_19-13C_19-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 19_19-13C_19-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 19_19-13C_19-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 19_19-13C_19-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.63037 test 0: 19_19-13C_19-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.2 test 0: 19_19-13C_19-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 19_19-13C_19-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.6776 test 0: 19_19-13C_19-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 19_19-13C_19-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13 test 0: 19_19-13C_19-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 19_19-13C_19-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 19_19-13C_19-13C.zip addProperty IFD.property.dataobject.timestamp=2021-10-21T01:48:03+01:00 test 0: 19_19-13C_19-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-10-21T01:48:04+01:00 test 0: 19_19-13C_19-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 19_19-13C_19-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-108solid Ca+pmb-pyrraz. batch 2 13C test 0: Phase 2.3 checking zip directory: 459 20/ test 0: Phase 2.3 checking zip directory: 460 20/20-1H/ test 0: Phase 2.3 checking zip directory: 461 20/20-13C/ test 0: Phase 2.3 checking zip directory: 463 20/20-IR/ test 0: Phase 2.3 checking zip directory: 465 20/20-X-ray/ test 0: Phase 2.3 checking zip directory: 467 20/20-hmbc/ test 0: Phase 2.3 checking zip directory: 468 20/20-hsqc/ test 0: Phase 2.3 checking zip directory: 2 20/20-13C/20-13C.zip|31/ test 0: !Extractor Phase 2c rezipping 20/20-13C/20-13C.zip|31/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\20_20-13C_20-13C.zip test 0: 20_20-13C_20-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 20_20-13C_20-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 20_20-13C_20-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 20_20-13C_20-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 20_20-13C_20-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.63037 test 0: 20_20-13C_20-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.2 test 0: 20_20-13C_20-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 20_20-13C_20-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.079 test 0: 20_20-13C_20-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 20_20-13C_20-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13 test 0: 20_20-13C_20-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 20_20-13C_20-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 20_20-13C_20-13C.zip addProperty IFD.property.dataobject.timestamp=2021-10-21T03:32:14+01:00 test 0: 20_20-13C_20-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-10-21T03:32:15+01:00 test 0: 20_20-13C_20-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 20_20-13C_20-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-107solid Ca+Ph-pyrraz. 13C test 0: Phase 2.3 checking zip directory: 2 20/20-1H/20-1H.zip|30/ test 0: !Extractor Phase 2c rezipping 20/20-1H/20-1H.zip|30/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\20_20-1H_20-1H.zip test 0: 20_20-1H_20-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 20_20-1H_20-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 20_20-1H_20-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 20_20-1H_20-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2 test 0: 20_20-1H_20-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 20_20-1H_20-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.446 test 0: 20_20-1H_20-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 20_20-1H_20-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 20_20-1H_20-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 20_20-1H_20-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 20_20-1H_20-1H.zip addProperty IFD.property.dataobject.timestamp=2021-10-20T16:01:37+01:00 test 0: 20_20-1H_20-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-10-20T16:01:38+01:00 test 0: 20_20-1H_20-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 20_20-1H_20-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-107solid Ca+Ph-pyrraz. test 0: Phase 2.3 checking zip directory: 489 21/ test 0: Phase 2.3 checking zip directory: 490 21/21-13C/ test 0: Phase 2.3 checking zip directory: 492 21/21-IR/ test 0: Phase 2.3 checking zip directory: 493 21/21-X-ray/ test 0: Phase 2.3 checking zip directory: 494 21/21-1H/ test 0: Phase 2.3 checking zip directory: 495 21/21-cosy/ test 0: Phase 2.3 checking zip directory: 500 21/21-hmbc/ test 0: Phase 2.3 checking zip directory: 501 21/21-hsqc/ test 0: Phase 2.3 checking zip directory: 2 21/21-1H/21-1H.zip|60/ test 0: !Extractor Phase 2c rezipping 21/21-1H/21-1H.zip|60/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\21_21-1H_21-1H.zip test 0: 21_21-1H_21-1H.zip addProperty 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21_21-1H_21-1H.zip addProperty IFD.property.dataobject.timestamp=2021-11-18T13:23:03Z test 0: 21_21-1H_21-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-11-18T13:23:03Z test 0: 21_21-1H_21-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 21_21-1H_21-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-170 acetone-d6 Ca+Bz-pyr. test 0: Phase 2.3 checking zip directory: 2 21/21-13C/21-13C.zip|1/ test 0: !Extractor Phase 2c rezipping 21/21-13C/21-13C.zip|1/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\21_21-13C_21-13C.zip test 0: 21_21-13C_21-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 21_21-13C_21-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 21_21-13C_21-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 21_21-13C_21-13C.zip addProperty 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IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-02-22T09:47:03Z test 0: 21_21-13C_21-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=C6D6 test 0: 21_21-13C_21-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=T Mies TM-VI-170 in d6-acetone ; 13C{1H} spectrum using DRX400 ; Feb21-2022/1 test 0: Phase 2.3 checking zip directory: 525 24/ test 0: Phase 2.3 checking zip directory: 527 24/24-hmbc/ test 0: Phase 2.3 checking zip directory: 528 24/24-1H/ test 0: Phase 2.3 checking zip directory: 530 24/24-13C/ test 0: Phase 2.3 checking zip directory: 531 24/24-IR/ test 0: Phase 2.3 checking zip directory: 532 24/24-X-ray/ test 0: Phase 2.3 checking zip directory: 533 24/24-hsqc/ test 0: Phase 2.3 checking zip directory: 537 24/24-cosy/ test 0: Phase 2.3 checking zip directory: 2 24/24-13C/24-13C.zip|44/ test 0: !Extractor Phase 2c rezipping 24/24-13C/24-13C.zip|44/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\24_24-13C_24-13C.zip test 0: 24_24-13C_24-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 24_24-13C_24-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 24_24-13C_24-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 24_24-13C_24-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 24_24-13C_24-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.63037 test 0: 24_24-13C_24-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.2 test 0: 24_24-13C_24-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 24_24-13C_24-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=293.9283 test 0: 24_24-13C_24-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 24_24-13C_24-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13 test 0: 24_24-13C_24-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 24_24-13C_24-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 24_24-13C_24-13C.zip addProperty IFD.property.dataobject.timestamp=2021-10-26T00:07:12+01:00 test 0: 24_24-13C_24-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-10-26T00:07:12+01:00 test 0: 24_24-13C_24-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 24_24-13C_24-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-136solid 13C test 0: Phase 2.3 checking zip directory: 2 24/24-1H/24-1H.zip|40/ test 0: !Extractor Phase 2c rezipping 24/24-1H/24-1H.zip|40/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\24_24-1H_24-1H.zip test 0: 24_24-1H_24-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 24_24-1H_24-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 24_24-1H_24-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 24_24-1H_24-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2 test 0: 24_24-1H_24-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 24_24-1H_24-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=293.2305 test 0: 24_24-1H_24-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 24_24-1H_24-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 24_24-1H_24-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 24_24-1H_24-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 24_24-1H_24-1H.zip addProperty IFD.property.dataobject.timestamp=2021-10-25T16:00:23+01:00 test 0: 24_24-1H_24-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-10-25T16:00:25+01:00 test 0: 24_24-1H_24-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 24_24-1H_24-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-136solid test 0: Phase 2.3 checking zip directory: 2 24/24-hmbc/24-hmbc.zip|43/ test 0: !Extractor Phase 2c rezipping 24/24-hmbc/24-hmbc.zip|43/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\24_24-hmbc_24-hmbc.zip test 0: 24_24-hmbc_24-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 24_24-hmbc_24-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 24_24-hmbc_24-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 24_24-hmbc_24-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 24_24-hmbc_24-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 24_24-hmbc_24-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2 test 0: 24_24-hmbc_24-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.63037 test 0: 24_24-hmbc_24-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 24_24-hmbc_24-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=293.0466 test 0: 24_24-hmbc_24-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 24_24-hmbc_24-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=hmbc test 0: 24_24-hmbc_24-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 24_24-hmbc_24-hmbc.zip addProperty IFD.property.dataobject.timestamp=2021-10-25T23:34:08+01:00 test 0: 24_24-hmbc_24-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-10-25T23:34:08+01:00 test 0: 24_24-hmbc_24-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-136solid hmbc test 0: Phase 2.3 checking zip directory: 560 25/ test 0: Phase 2.3 checking zip directory: 562 25/25-X-ray/ test 0: Phase 2.3 checking zip directory: 563 25/25-IR/ test 0: Phase 2.3 checking zip directory: 565 25/25-1H/ test 0: Phase 2.3 checking zip directory: 566 25/25-hmbc/ test 0: Phase 2.3 checking zip directory: 567 25/25-13C/ test 0: Phase 2.3 checking zip directory: 568 25/25-hsqc/ test 0: Phase 2.3 checking zip directory: 572 25/25-cosy/ test 0: Phase 2.3 checking zip directory: 2 25/25-13C/25-13C.zip|73/ test 0: !Extractor Phase 2c rezipping 25/25-13C/25-13C.zip|73/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\25_25-13C_25-13C.zip test 0: 25_25-13C_25-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 25_25-13C_25-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 25_25-13C_25-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 25_25-13C_25-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 25_25-13C_25-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.63037 test 0: 25_25-13C_25-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.2 test 0: 25_25-13C_25-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 25_25-13C_25-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.4004 test 0: 25_25-13C_25-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 25_25-13C_25-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13 test 0: 25_25-13C_25-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 25_25-13C_25-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 25_25-13C_25-13C.zip addProperty IFD.property.dataobject.timestamp=2021-11-19T00:25:49Z test 0: 25_25-13C_25-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-11-19T00:25:50Z test 0: 25_25-13C_25-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 25_25-13C_25-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-171 CDCl3 Sc+ Bz-pyr. 13C test 0: Phase 2.3 checking zip directory: 2 25/25-1H/25-1H.zip|70/ test 0: !Extractor Phase 2c rezipping 25/25-1H/25-1H.zip|70/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\25_25-1H_25-1H.zip test 0: 25_25-1H_25-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 25_25-1H_25-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 25_25-1H_25-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 25_25-1H_25-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2 test 0: 25_25-1H_25-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 25_25-1H_25-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.5795 test 0: 25_25-1H_25-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 25_25-1H_25-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 25_25-1H_25-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 25_25-1H_25-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 25_25-1H_25-1H.zip addProperty IFD.property.dataobject.timestamp=2021-11-18T13:27:15Z test 0: 25_25-1H_25-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-11-18T13:27:16Z test 0: 25_25-1H_25-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 25_25-1H_25-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-171 CDCl3 Sc+ Bz-pyr. test 0: Phase 2.3 checking zip directory: 595 28/ test 0: Phase 2.3 checking zip directory: 596 28/28-hmbc/ test 0: Phase 2.3 checking zip directory: 598 28/28-hsqc/ test 0: Phase 2.3 checking zip directory: 599 28/28-1H/ test 0: Phase 2.3 checking zip directory: 601 28/28-X-ray/ test 0: Phase 2.3 checking zip directory: 603 28/28-IR/ test 0: Phase 2.3 checking zip directory: 604 28/28-13C/ test 0: Phase 2.3 checking zip directory: 2 28/28-13C/28-13C.zip|21/ test 0: !Extractor Phase 2c rezipping 28/28-13C/28-13C.zip|21/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\28_28-13C_28-13C.zip test 0: 28_28-13C_28-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 28_28-13C_28-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 28_28-13C_28-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 28_28-13C_28-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 28_28-13C_28-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.63037 test 0: 28_28-13C_28-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.2 test 0: 28_28-13C_28-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 28_28-13C_28-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.922 test 0: 28_28-13C_28-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 28_28-13C_28-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13 test 0: 28_28-13C_28-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 28_28-13C_28-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 28_28-13C_28-13C.zip addProperty IFD.property.dataobject.timestamp=2022-03-03T23:30:59Z test 0: 28_28-13C_28-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-03-03T23:30:59Z test 0: 28_28-13C_28-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 28_28-13C_28-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-273, Y+Ph-pyr, acetone-d6, 13C test 0: Phase 2.3 checking zip directory: 2 28/28-1H/28-1H.zip|20/ test 0: !Extractor Phase 2c rezipping 28/28-1H/28-1H.zip|20/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\28_28-1H_28-1H.zip test 0: 28_28-1H_28-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 28_28-1H_28-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 28_28-1H_28-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 28_28-1H_28-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2 test 0: 28_28-1H_28-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 28_28-1H_28-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.6994 test 0: 28_28-1H_28-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 28_28-1H_28-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 28_28-1H_28-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 28_28-1H_28-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0621 test 0: 28_28-1H_28-1H.zip addProperty IFD.property.dataobject.timestamp=2022-03-02T17:34:37Z test 0: 28_28-1H_28-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-03-02T17:34:37Z test 0: 28_28-1H_28-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 28_28-1H_28-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-273, Y+Ph-pyr, acetone-d6 test 0: Phase 2.3 checking zip directory: 625 33/ test 0: Phase 2.3 checking zip directory: 628 33/33-acetone-d6/ test 0: Phase 2.3 checking zip directory: 629 33/33-CDCl3/ test 0: Phase 2.3 checking zip directory: 631 33/33-x-ray/ test 0: Phase 2.3 checking zip directory: 632 33/33-IR/ test 0: Phase 2.3 checking zip directory: 636 33/33-CDCl3/33-in CDCl3 hmbc/ test 0: Phase 2.3 checking zip directory: 637 33/33-CDCl3/33-in CDCl3 13C/ test 0: Phase 2.3 checking zip directory: 639 33/33-CDCl3/33-in CDCl3 1H/ test 0: Phase 2.3 checking zip directory: 640 33/33-CDCl3/33-in CDCl3 hmqc/ test 0: Phase 2.3 checking zip directory: 641 33/33-CDCl3/33-in CDCl3 cosy/ test 0: Phase 2.3 checking zip directory: 2 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/ test 0: !Extractor Phase 2c rezipping 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.zip test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.32 test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.5948 test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=cosygpqf test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=cosy test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.zip addProperty IFD.property.dataobject.timestamp=2021-10-27T13:38:27+01:00 test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-10-27T13:38:28+01:00 test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 33_33-CDCl3_33-in_CDCl3_cosy_33-in_CDCl3_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-138solid cosy test 0: Phase 2.3 checking zip directory: 2 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/ test 0: !Extractor Phase 2c rezipping 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.zip test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.32 test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.3883 test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.zip addProperty IFD.property.dataobject.timestamp=2021-10-27T12:36:23+01:00 test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-10-27T12:36:23+01:00 test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 33_33-CDCl3_33-in_CDCl3_1H_33-in_CDCl3_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-138solid test 0: Phase 2.3 checking zip directory: 2 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/ test 0: !Extractor Phase 2c rezipping 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.zip test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.660544 test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.32 test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.3458 test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13 test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.zip addProperty IFD.property.dataobject.timestamp=2021-10-27T21:02:54+01:00 test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-10-27T21:02:54+01:00 test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 33_33-CDCl3_33-in_CDCl3_13C_33-in_CDCl3_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-138solid 13C test 0: Phase 2.3 checking zip directory: 2 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/ test 0: !Extractor Phase 2c rezipping 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.zip test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.32 test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.660544 test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.99 test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=hmbc test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.zip addProperty IFD.property.dataobject.timestamp=2021-10-27T21:23:40+01:00 test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-10-27T21:23:40+01:00 test 0: 33_33-CDCl3_33-in_CDCl3_hmbc_33-in_CDCl3_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-138solid hmbc test 0: Phase 2.3 checking zip directory: 662 33/33-acetone-d6/33-in acetone-d6 13C/ test 0: Phase 2.3 checking zip directory: 663 33/33-acetone-d6/33-in acetone-d6 hmbc/ test 0: Phase 2.3 checking zip directory: 664 33/33-acetone-d6/33-in acetone-d6 1H/ test 0: Phase 2.3 checking zip directory: 666 33/33-acetone-d6/33-in acetone-d6 hmqc/ test 0: Phase 2.3 checking zip directory: 2 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/ test 0: !Extractor Phase 2c rezipping 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.zip test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41 test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.222 test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.zip addProperty IFD.property.dataobject.timestamp=2021-10-20T15:23:59+01:00 test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-10-20T15:24+01:00 test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 33_33-acetone-d6_33-in_acetone-d6_1H_33-in_acetone-d6_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-121 Zr+PMB-prraz. test 0: Phase 2.3 checking zip directory: 2 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/ test 0: !Extractor Phase 2c rezipping 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.zip test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.683175 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=293.7805 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=hmbc test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.zip addProperty IFD.property.dataobject.timestamp=2021-10-21T01:01:59+01:00 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-10-21T01:02+01:00 test 0: 33_33-acetone-d6_33-in_acetone-d6_hmbc_33-in_acetone-d6_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-121 Zr+PMB-prraz. hmbc test 0: Phase 2.3 checking zip directory: 2 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/ test 0: !Extractor Phase 2c rezipping 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.zip test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.683175 test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.41 test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.0333 test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13 test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.timestamp=2021-10-21T00:41:41+01:00 test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-10-21T00:41:41+01:00 test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 33_33-acetone-d6_33-in_acetone-d6_13C_33-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-121 Zr+PMB-prraz. 13C test 0: Phase 2.3 checking zip directory: 683 34/ test 0: Phase 2.3 checking zip directory: 685 34/34-IR/ test 0: Phase 2.3 checking zip directory: 689 34/34-X-Ray/ test 0: Phase 2.3 checking zip directory: 690 34/34-NMR-acetone-d6/ test 0: Phase 2.3 checking zip directory: 691 34/34-NMR-CDCl3/ test 0: Phase 2.3 checking zip directory: 692 34/34-NMR-CDCl3/34-in CDCl3 hmbc/ test 0: Phase 2.3 checking zip directory: 693 34/34-NMR-CDCl3/34-in CDCl3 13C/ test 0: Phase 2.3 checking zip directory: 695 34/34-NMR-CDCl3/34-in CDCl3 hsqc/ test 0: Phase 2.3 checking zip directory: 696 34/34-NMR-CDCl3/34-in CDCl3 1H/ test 0: Phase 2.3 checking zip directory: 697 34/34-NMR-CDCl3/34-in CDCl3 cosy/ test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/ test 0: !Extractor Phase 2c rezipping 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.zip test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.32 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.4665 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=cosygpqf test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=cosy test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.zip addProperty IFD.property.dataobject.timestamp=2021-10-27T13:02:11+01:00 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-10-27T13:02:12+01:00 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 34_34-NMR-CDCl3_34-in_CDCl3_cosy_34-in_CDCl3_cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-137solid cosy test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/ test 0: !Extractor Phase 2c rezipping 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.zip test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.32 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.3646 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.zip addProperty IFD.property.dataobject.timestamp=2021-10-27T12:32:40+01:00 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-10-27T12:32:40+01:00 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_1H_34-in_CDCl3_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-137solid test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/ test 0: !Extractor Phase 2c rezipping 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.zip test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.660544 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.32 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.1612 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13q test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.zip addProperty IFD.property.dataobject.timestamp=2021-10-27T13:25:33+01:00 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-10-27T13:25:34+01:00 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_13C_34-in_CDCl3_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-137solid 13C test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/ test 0: !Extractor Phase 2c rezipping 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.zip test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.32 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.660544 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.4578 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=hmbc test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.zip addProperty IFD.property.dataobject.timestamp=2021-10-27T20:27:23+01:00 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-10-27T20:27:23+01:00 test 0: 34_34-NMR-CDCl3_34-in_CDCl3_hmbc_34-in_CDCl3_hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-137solid hmbc test 0: Phase 2.3 checking zip directory: 719 34/34-NMR-acetone-d6/34-in acetone-d6 13C/ test 0: Phase 2.3 checking zip directory: 720 34/34-NMR-acetone-d6/34-in acetone-d6 1H/ test 0: Phase 2.3 checking zip directory: 721 34/34-NMR-acetone-d6/34-in acetone-d6 hmbc/ test 0: Phase 2.3 checking zip directory: 722 34/34-NMR-acetone-d6/34-in acetone-d6 hsqc/ test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/ test 0: !Extractor Phase 2c rezipping 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.zip test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.2294 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.zip addProperty IFD.property.dataobject.timestamp=2021-10-20T15:26:33+01:00 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-10-20T15:26:34+01:00 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_1H_34-in_acetone-d6_1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-124 Zr+ph-prraz. test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/ test 0: !Extractor Phase 2c rezipping 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.zip test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.683175 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.41 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.0428 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.timestamp=2022-08-01T21:13:53+01:00 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-08-01T21:13:53+01:00 test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=Acetone test 0: 34_34-NMR-acetone-d6_34-in_acetone-d6_13C_34-in_acetone-d6_13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-137, acetone-d6 test 0: Phase 2.3 checking zip directory: 741 37/ test 0: Phase 2.3 checking zip directory: 745 37/37-13C/ test 0: Phase 2.3 checking zip directory: 746 37/37-cosy/ test 0: Phase 2.3 checking zip directory: 747 37/37-X-ray/ test 0: Phase 2.3 checking zip directory: 749 37/37-hmbc/ test 0: Phase 2.3 checking zip directory: 750 37/37-IR/ test 0: Phase 2.3 checking zip directory: 752 37/37-hsqc/ test 0: Phase 2.3 checking zip directory: 753 37/37-1H/ test 0: Phase 2.3 checking zip directory: 2 37/37-1H/37-1H.zip|50/ test 0: !Extractor Phase 2c rezipping 37/37-1H/37-1H.zip|50/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\37_37-1H_37-1H.zip test 0: 37_37-1H_37-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 37_37-1H_37-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 37_37-1H_37-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 37_37-1H_37-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41 test 0: 37_37-1H_37-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 37_37-1H_37-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.0063 test 0: 37_37-1H_37-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 37_37-1H_37-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 37_37-1H_37-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 37_37-1H_37-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 37_37-1H_37-1H.zip addProperty IFD.property.dataobject.timestamp=2021-12-16T12:01:46Z test 0: 37_37-1H_37-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-12-16T12:01:47Z test 0: 37_37-1H_37-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 37_37-1H_37-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-212, CDCl3, Cp2ZrCl + Ph-pyr. test 0: Phase 2.3 checking zip directory: 2 37/37-cosy/37-cosy.zip|21/ test 0: !Extractor Phase 2c rezipping 37/37-cosy/37-cosy.zip|21/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\37_37-cosy_37-cosy.zip test 0: 37_37-cosy_37-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 37_37-cosy_37-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 37_37-cosy_37-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 37_37-cosy_37-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 37_37-cosy_37-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.32 test 0: 37_37-cosy_37-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 37_37-cosy_37-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.2695 test 0: 37_37-cosy_37-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=cosygpqf test 0: 37_37-cosy_37-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=cosy test 0: 37_37-cosy_37-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 37_37-cosy_37-cosy.zip addProperty IFD.property.dataobject.timestamp=2022-06-21T16:11:57+01:00 test 0: 37_37-cosy_37-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-06-21T16:11:57+01:00 test 0: 37_37-cosy_37-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 37_37-cosy_37-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-212, CDCl3, new, cosy test 0: Phase 2.3 checking zip directory: 2 37/37-13C/37-3C.zip|23/ test 0: !Extractor Phase 2c rezipping 37/37-13C/37-3C.zip|23/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\37_37-13C_37-3C.zip test 0: 37_37-13C_37-3C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 37_37-13C_37-3C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 37_37-13C_37-3C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 37_37-13C_37-3C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 37_37-13C_37-3C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.660544 test 0: 37_37-13C_37-3C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.32 test 0: 37_37-13C_37-3C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 37_37-13C_37-3C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.9926 test 0: 37_37-13C_37-3C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 37_37-13C_37-3C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13 test 0: 37_37-13C_37-3C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 37_37-13C_37-3C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 37_37-13C_37-3C.zip addProperty IFD.property.dataobject.timestamp=2022-06-21T20:35:55+01:00 test 0: 37_37-13C_37-3C.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-06-21T20:35:55+01:00 test 0: 37_37-13C_37-3C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 37_37-13C_37-3C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-212, CDCl3, new, 13C test 0: Phase 2.3 checking zip directory: 776 38/ test 0: Phase 2.3 checking zip directory: 777 38/38-X-ray/ test 0: Phase 2.3 checking zip directory: 779 38/38-hmbc/ test 0: Phase 2.3 checking zip directory: 782 38/38-hmqc/ test 0: Phase 2.3 checking zip directory: 783 38/38-cosy/ test 0: Phase 2.3 checking zip directory: 784 38/38-1H/ test 0: Phase 2.3 checking zip directory: 786 38/38-IR/ test 0: Phase 2.3 checking zip directory: 788 38/38-13C/ test 0: Phase 2.3 checking zip directory: 2 38/38-13C/38-13C.zip|43/ test 0: !Extractor Phase 2c rezipping 38/38-13C/38-13C.zip|43/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\38_38-13C_38-13C.zip test 0: 38_38-13C_38-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 38_38-13C_38-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 38_38-13C_38-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 38_38-13C_38-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 38_38-13C_38-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.683175 test 0: 38_38-13C_38-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.41 test 0: 38_38-13C_38-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 38_38-13C_38-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.0049 test 0: 38_38-13C_38-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 38_38-13C_38-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13q test 0: 38_38-13C_38-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 38_38-13C_38-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 38_38-13C_38-13C.zip addProperty IFD.property.dataobject.timestamp=2022-06-22T02:54:37+01:00 test 0: 38_38-13C_38-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-06-22T02:54:37+01:00 test 0: 38_38-13C_38-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 38_38-13C_38-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-391, CDCl3, 13C test 0: Phase 2.3 checking zip directory: 2 38/38-1H/38-1H.zip|40/ test 0: !Extractor Phase 2c rezipping 38/38-1H/38-1H.zip|40/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\38_38-1H_38-1H.zip test 0: 38_38-1H_38-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 38_38-1H_38-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 38_38-1H_38-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 38_38-1H_38-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41 test 0: 38_38-1H_38-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 38_38-1H_38-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.2485 test 0: 38_38-1H_38-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 38_38-1H_38-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 38_38-1H_38-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 38_38-1H_38-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 38_38-1H_38-1H.zip addProperty IFD.property.dataobject.timestamp=2022-06-21T17:21:24+01:00 test 0: 38_38-1H_38-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-06-21T17:21:24+01:00 test 0: 38_38-1H_38-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 38_38-1H_38-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-391, CDCl3 test 0: Phase 2.3 checking zip directory: 2 38/38-cosy/38-cosy.zip|41/ test 0: !Extractor Phase 2c rezipping 38/38-cosy/38-cosy.zip|41/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\38_38-cosy_38-cosy.zip test 0: 38_38-cosy_38-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 38_38-cosy_38-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 38_38-cosy_38-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 38_38-cosy_38-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 38_38-cosy_38-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41 test 0: 38_38-cosy_38-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 38_38-cosy_38-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.1785 test 0: 38_38-cosy_38-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=cosygpqf test 0: 38_38-cosy_38-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=cosy test 0: 38_38-cosy_38-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 38_38-cosy_38-cosy.zip addProperty IFD.property.dataobject.timestamp=2022-06-22T02:31:03+01:00 test 0: 38_38-cosy_38-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-06-22T02:31:04+01:00 test 0: 38_38-cosy_38-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 38_38-cosy_38-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-391, CDCl3, cosy test 0: Phase 2.3 checking zip directory: 2 38/38-hmbc/38-hmbc.zip|44/ test 0: !Extractor Phase 2c rezipping 38/38-hmbc/38-hmbc.zip|44/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\38_38-hmbc_38-hmbc.zip test 0: 38_38-hmbc_38-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 38_38-hmbc_38-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 38_38-hmbc_38-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 38_38-hmbc_38-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 38_38-hmbc_38-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 38_38-hmbc_38-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41 test 0: 38_38-hmbc_38-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.683175 test 0: 38_38-hmbc_38-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 38_38-hmbc_38-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.756 test 0: 38_38-hmbc_38-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 38_38-hmbc_38-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=hmbc test 0: 38_38-hmbc_38-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 38_38-hmbc_38-hmbc.zip addProperty IFD.property.dataobject.timestamp=2022-06-22T03:14:55+01:00 test 0: 38_38-hmbc_38-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2022-06-22T03:14:56+01:00 test 0: 38_38-hmbc_38-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-391, CDCl3, hmbc test 0: Phase 2.3 checking zip directory: 811 39/ test 0: Phase 2.3 checking zip directory: 815 39/39-X-ray/ test 0: Phase 2.3 checking zip directory: 817 39/39-hmbc/ test 0: Phase 2.3 checking zip directory: 818 39/39b-X-ray/ test 0: Phase 2.3 checking zip directory: 819 39/39-IR/ test 0: Phase 2.3 checking zip directory: 820 39/39-1H/ test 0: Phase 2.3 checking zip directory: 821 39/39-cosy/ test 0: Phase 2.3 checking zip directory: 822 39/39-hmqc/ test 0: Phase 2.3 checking zip directory: 824 39/39-13C/ test 0: Phase 2.3 checking zip directory: 2 39/39-13C/39-13C.zip|43/ test 0: !Extractor Phase 2c rezipping 39/39-13C/39-13C.zip|43/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\39_39-13C_39-13C.zip test 0: 39_39-13C_39-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 39_39-13C_39-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CD2Cl2 test 0: 39_39-13C_39-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 39_39-13C_39-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 39_39-13C_39-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.683175 test 0: 39_39-13C_39-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.41 test 0: 39_39-13C_39-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 39_39-13C_39-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.9789 test 0: 39_39-13C_39-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 39_39-13C_39-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13 test 0: 39_39-13C_39-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 39_39-13C_39-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 39_39-13C_39-13C.zip addProperty IFD.property.dataobject.timestamp=2021-11-11T01:38:58Z test 0: 39_39-13C_39-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-11-11T01:38:58Z test 0: 39_39-13C_39-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CD2Cl2 test 0: 39_39-13C_39-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-156 13C test 0: Phase 2.3 checking zip directory: 2 39/39-cosy/39-cosy.zip|41/ test 0: !Extractor Phase 2c rezipping 39/39-cosy/39-cosy.zip|41/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\39_39-cosy_39-cosy.zip test 0: 39_39-cosy_39-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 39_39-cosy_39-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 39_39-cosy_39-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CD2Cl2 test 0: 39_39-cosy_39-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 39_39-cosy_39-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41 test 0: 39_39-cosy_39-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 39_39-cosy_39-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=293.8636 test 0: 39_39-cosy_39-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=cosygpqf test 0: 39_39-cosy_39-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=cosy test 0: 39_39-cosy_39-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 39_39-cosy_39-cosy.zip addProperty IFD.property.dataobject.timestamp=2021-11-10T13:56:52Z test 0: 39_39-cosy_39-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-11-10T13:56:53Z test 0: 39_39-cosy_39-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 39_39-cosy_39-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-156 cosy test 0: Phase 2.3 checking zip directory: 2 39/39-1H/39-1H.zip|40/ test 0: !Extractor Phase 2c rezipping 39/39-1H/39-1H.zip|40/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\39_39-1H_39-1H.zip test 0: 39_39-1H_39-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 39_39-1H_39-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CD2Cl2 test 0: 39_39-1H_39-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 39_39-1H_39-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41 test 0: 39_39-1H_39-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 39_39-1H_39-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=293.8554 test 0: 39_39-1H_39-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 39_39-1H_39-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 39_39-1H_39-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 39_39-1H_39-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 39_39-1H_39-1H.zip addProperty IFD.property.dataobject.timestamp=2021-11-10T13:45:53Z test 0: 39_39-1H_39-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-11-10T13:45:53Z test 0: 39_39-1H_39-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CD2Cl2 test 0: 39_39-1H_39-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-156 test 0: Phase 2.3 checking zip directory: 2 39/39-hmbc/39-hmbc.zip|44/ test 0: !Extractor Phase 2c rezipping 39/39-hmbc/39-hmbc.zip|44/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\39_39-hmbc_39-hmbc.zip test 0: 39_39-hmbc_39-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 39_39-hmbc_39-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 39_39-hmbc_39-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CD2Cl2 test 0: 39_39-hmbc_39-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 39_39-hmbc_39-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 39_39-hmbc_39-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41 test 0: 39_39-hmbc_39-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.683175 test 0: 39_39-hmbc_39-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 39_39-hmbc_39-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.7307 test 0: 39_39-hmbc_39-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 39_39-hmbc_39-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=hmbc test 0: 39_39-hmbc_39-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 39_39-hmbc_39-hmbc.zip addProperty IFD.property.dataobject.timestamp=2021-11-11T01:59:17Z test 0: 39_39-hmbc_39-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-11-11T01:59:17Z test 0: 39_39-hmbc_39-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-156 hmbc test 0: Phase 2.3 checking zip directory: 848 40/ test 0: Phase 2.3 checking zip directory: 849 40/40-IR/ test 0: Phase 2.3 checking zip directory: 850 40/40-1H/ test 0: Phase 2.3 checking zip directory: 851 40/40-X-ray/ test 0: Phase 2.3 checking zip directory: 854 40/40-13C/ test 0: Phase 2.3 checking zip directory: 856 40/40-cosy/ test 0: Phase 2.3 checking zip directory: 857 40/40-hmqc/ test 0: Phase 2.3 checking zip directory: 859 40/40-hmbc/ test 0: Phase 2.3 checking zip directory: 2 40/40-hmbc/40-hmbc.zip|24/ test 0: !Extractor Phase 2c rezipping 40/40-hmbc/40-hmbc.zip|24/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\40_40-hmbc_40-hmbc.zip test 0: 40_40-hmbc_40-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 40_40-hmbc_40-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 40_40-hmbc_40-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CD2Cl2 test 0: 40_40-hmbc_40-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 40_40-hmbc_40-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 40_40-hmbc_40-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41 test 0: 40_40-hmbc_40-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.683175 test 0: 40_40-hmbc_40-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 40_40-hmbc_40-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.7993 test 0: 40_40-hmbc_40-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 40_40-hmbc_40-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=hmbc test 0: 40_40-hmbc_40-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 40_40-hmbc_40-hmbc.zip addProperty IFD.property.dataobject.timestamp=2021-11-11T21:47:05Z test 0: 40_40-hmbc_40-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-11-11T21:47:06Z test 0: 40_40-hmbc_40-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-158 hmbc test 0: Phase 2.3 checking zip directory: 2 40/40-cosy/40-cosy.zip|21/ test 0: !Extractor Phase 2c rezipping 40/40-cosy/40-cosy.zip|21/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\40_40-cosy_40-cosy.zip test 0: 40_40-cosy_40-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 40_40-cosy_40-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 40_40-cosy_40-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CD2Cl2 test 0: 40_40-cosy_40-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 40_40-cosy_40-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41 test 0: 40_40-cosy_40-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 40_40-cosy_40-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.1624 test 0: 40_40-cosy_40-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=cosygpqf test 0: 40_40-cosy_40-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=cosy test 0: 40_40-cosy_40-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 40_40-cosy_40-cosy.zip addProperty IFD.property.dataobject.timestamp=2021-11-11T10:47:05Z test 0: 40_40-cosy_40-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-11-11T10:47:05Z test 0: 40_40-cosy_40-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 40_40-cosy_40-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-158 cosy test 0: Phase 2.3 checking zip directory: 2 40/40-13C/40-13C.zip|23/ test 0: !Extractor Phase 2c rezipping 40/40-13C/40-13C.zip|23/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\40_40-13C_40-13C.zip test 0: 40_40-13C_40-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 40_40-13C_40-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CD2Cl2 test 0: 40_40-13C_40-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 40_40-13C_40-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 40_40-13C_40-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.683175 test 0: 40_40-13C_40-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.41 test 0: 40_40-13C_40-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 40_40-13C_40-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.0538 test 0: 40_40-13C_40-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 40_40-13C_40-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13 test 0: 40_40-13C_40-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 40_40-13C_40-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 40_40-13C_40-13C.zip addProperty IFD.property.dataobject.timestamp=2021-11-11T21:26:47Z test 0: 40_40-13C_40-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-11-11T21:26:48Z test 0: 40_40-13C_40-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CD2Cl2 test 0: 40_40-13C_40-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-158 13C test 0: Phase 2.3 checking zip directory: 2 40/40-1H/40-1H.zip|20/ test 0: !Extractor Phase 2c rezipping 40/40-1H/40-1H.zip|20/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\40_40-1H_40-1H.zip test 0: 40_40-1H_40-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 40_40-1H_40-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CD2Cl2 test 0: 40_40-1H_40-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 40_40-1H_40-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41 test 0: 40_40-1H_40-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 40_40-1H_40-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.2049 test 0: 40_40-1H_40-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 40_40-1H_40-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 40_40-1H_40-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 40_40-1H_40-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 40_40-1H_40-1H.zip addProperty IFD.property.dataobject.timestamp=2021-11-11T10:30:53Z test 0: 40_40-1H_40-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-11-11T10:30:54Z test 0: 40_40-1H_40-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CD2Cl2 test 0: 40_40-1H_40-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-158 test 0: Phase 2.3 checking zip directory: 883 42/ test 0: Phase 2.3 checking zip directory: 884 42/42-X-ray/ test 0: Phase 2.3 checking zip directory: 889 42/42-IR/ test 0: Phase 2.3 checking zip directory: 892 46/ test 0: Phase 2.3 checking zip directory: 894 46/46-X-ray/ test 0: Phase 2.3 checking zip directory: 897 46/46-IR/ test 0: Phase 2.3 checking zip directory: 901 49/ test 0: Phase 2.3 checking zip directory: 902 49/49-hmbc/ test 0: Phase 2.3 checking zip directory: 905 49/49-hsqc/ test 0: Phase 2.3 checking zip directory: 907 49/49-1H/ test 0: Phase 2.3 checking zip directory: 908 49/49-13C/ test 0: Phase 2.3 checking zip directory: 909 49/49-IR/ test 0: Phase 2.3 checking zip directory: 911 49/49-X-ray/ test 0: Phase 2.3 checking zip directory: 912 49/49-cosy/ test 0: Phase 2.3 checking zip directory: 2 49/49-13C/49-13C.zip|23/ test 0: !Extractor Phase 2c rezipping 49/49-13C/49-13C.zip|23/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\49_49-13C_49-13C.zip test 0: 49_49-13C_49-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 49_49-13C_49-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=DMSO_weak test 0: 49_49-13C_49-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 49_49-13C_49-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 49_49-13C_49-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.63037 test 0: 49_49-13C_49-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.2 test 0: 49_49-13C_49-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 49_49-13C_49-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=293.5186 test 0: 49_49-13C_49-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 49_49-13C_49-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13 test 0: 49_49-13C_49-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 49_49-13C_49-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 49_49-13C_49-13C.zip addProperty IFD.property.dataobject.timestamp=2021-11-05T06:46:53Z test 0: 49_49-13C_49-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-11-05T06:46:54Z test 0: 49_49-13C_49-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 49_49-13C_49-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-146repeat solid dmso d6 13C test 0: Phase 2.3 checking zip directory: 2 49/49-1H/49-1H.zip|20/ test 0: !Extractor Phase 2c rezipping 49/49-1H/49-1H.zip|20/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\49_49-1H_49-1H.zip test 0: 49_49-1H_49-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 49_49-1H_49-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=DMSO_weak test 0: 49_49-1H_49-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 49_49-1H_49-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2 test 0: 49_49-1H_49-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 49_49-1H_49-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=292.5938 test 0: 49_49-1H_49-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 49_49-1H_49-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 49_49-1H_49-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 49_49-1H_49-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 49_49-1H_49-1H.zip addProperty IFD.property.dataobject.timestamp=2021-11-04T15:11:31Z test 0: 49_49-1H_49-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-11-04T15:11:32Z test 0: 49_49-1H_49-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 49_49-1H_49-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-146repeat solid dmso d6 test 0: Phase 2.3 checking zip directory: 937 50/ test 0: Phase 2.3 checking zip directory: 938 50/50-IR/ test 0: Phase 2.3 checking zip directory: 939 50/50-1H/ test 0: Phase 2.3 checking zip directory: 940 50/50-cosy/ test 0: Phase 2.3 checking zip directory: 941 50/50-13C/ test 0: Phase 2.3 checking zip directory: 944 50/50-hsqc/ test 0: Phase 2.3 checking zip directory: 945 50/50-X-ray/ test 0: Phase 2.3 checking zip directory: 946 50/50-hmbc/ test 0: Phase 2.3 checking zip directory: 2 50/50-13C/50-13C.zip|63/ test 0: !Extractor Phase 2c rezipping 50/50-13C/50-13C.zip|63/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\50_50-13C_50-13C.zip test 0: 50_50-13C_50-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 50_50-13C_50-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 50_50-13C_50-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 50_50-13C_50-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 50_50-13C_50-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.63037 test 0: 50_50-13C_50-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.2 test 0: 50_50-13C_50-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 50_50-13C_50-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=291.0844 test 0: 50_50-13C_50-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 50_50-13C_50-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13 test 0: 50_50-13C_50-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 50_50-13C_50-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 50_50-13C_50-13C.zip addProperty IFD.property.dataobject.timestamp=2021-11-04T01:35:37Z test 0: 50_50-13C_50-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-11-04T01:35:37Z test 0: 50_50-13C_50-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 50_50-13C_50-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-147 13C test 0: Phase 2.3 checking zip directory: 2 50/50-1H/50-1H.zip|60/ test 0: !Extractor Phase 2c rezipping 50/50-1H/50-1H.zip|60/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\50_50-1H_50-1H.zip test 0: 50_50-1H_50-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 50_50-1H_50-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 50_50-1H_50-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 50_50-1H_50-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.2 test 0: 50_50-1H_50-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 50_50-1H_50-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=291.2826 test 0: 50_50-1H_50-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 50_50-1H_50-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 50_50-1H_50-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 50_50-1H_50-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB-1H/19F/D Z-GRD Z824801/0185 test 0: 50_50-1H_50-1H.zip addProperty IFD.property.dataobject.timestamp=2021-11-02T17:18:34Z test 0: 50_50-1H_50-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-11-02T17:18:35Z test 0: 50_50-1H_50-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 50_50-1H_50-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-147 test 0: Phase 2.3 checking zip directory: 972 53/ test 0: Phase 2.3 checking zip directory: 976 53/53-IR/ test 0: Phase 2.3 checking zip directory: 977 53/53-X-ray/ test 0: Phase 2.3 checking zip directory: 981 54/ test 0: Phase 2.3 checking zip directory: 983 54/54-IR/ test 0: Phase 2.3 checking zip directory: 985 54/54-X-ray/ test 0: Phase 2.3 checking zip directory: 990 55/ test 0: Phase 2.3 checking zip directory: 991 55/55-IR/ test 0: Phase 2.3 checking zip directory: 995 55/55-X-ray/ test 0: Phase 2.3 checking zip directory: 999 56/ test 0: Phase 2.3 checking zip directory: 1002 56/56-X-ray/ test 0: Phase 2.3 checking zip directory: 1004 56/56-IR/ test 0: Phase 2.3 checking zip directory: 1006 56/56-comp/ test 0: Phase 2.3 checking zip directory: 1007 56/56-comp/10292/ test 0: Phase 2.3 checking zip directory: 1008 56/56-comp/10323/ test 0: Phase 2.3 checking zip directory: 1009 56/56-comp/10311/ test 0: Phase 2.3 checking zip directory: 1024 57/ test 0: Phase 2.3 checking zip directory: 1029 57/57-x-ray/ test 0: Phase 2.3 checking zip directory: 1030 57/57-IR/ test 0: Phase 2.3 checking zip directory: 1033 58/ test 0: Phase 2.3 checking zip directory: 1037 58/58-X-ray/ test 0: Phase 2.3 checking zip directory: 1038 58/58-IR/ test 0: Phase 2.3 checking zip directory: 1042 60/ test 0: Phase 2.3 checking zip directory: 1043 60/60-X-ray/ test 0: Phase 2.3 checking zip directory: 1044 60/60-IR/ test 0: Phase 2.3 checking zip directory: 1051 61/ test 0: Phase 2.3 checking zip directory: 1052 61/61-1H/ test 0: Phase 2.3 checking zip directory: 1055 61/61-IR/ test 0: Phase 2.3 checking zip directory: 1056 61/61-cosy/ test 0: Phase 2.3 checking zip directory: 1057 61/61-X-Ray/ test 0: Phase 2.3 checking zip directory: 1058 61/61-hmqc/ test 0: Phase 2.3 checking zip directory: 1060 61/61-hmbc/ test 0: Phase 2.3 checking zip directory: 1061 61/61-13C/ test 0: Phase 2.3 checking zip directory: 2 61/61-13C/61-13C.zip|23/ test 0: !Extractor Phase 2c rezipping 61/61-13C/61-13C.zip|23/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\61_61-13C_61-13C.zip test 0: 61_61-13C_61-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 61_61-13C_61-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 61_61-13C_61-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 61_61-13C_61-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 61_61-13C_61-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.660544 test 0: 61_61-13C_61-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.32 test 0: 61_61-13C_61-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 61_61-13C_61-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.7416 test 0: 61_61-13C_61-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 61_61-13C_61-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13 test 0: 61_61-13C_61-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 61_61-13C_61-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 61_61-13C_61-13C.zip addProperty IFD.property.dataobject.timestamp=2021-12-04T17:11:08Z test 0: 61_61-13C_61-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-12-04T17:11:08Z test 0: 61_61-13C_61-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 61_61-13C_61-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-191, CD3OD 13C test 0: Phase 2.3 checking zip directory: 2 61/61-hmbc/61-hmbc.zip|25/ test 0: !Extractor Phase 2c rezipping 61/61-hmbc/61-hmbc.zip|25/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\61_61-hmbc_61-hmbc.zip test 0: 61_61-hmbc_61-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 61_61-hmbc_61-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 61_61-hmbc_61-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 61_61-hmbc_61-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 61_61-hmbc_61-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 61_61-hmbc_61-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.32 test 0: 61_61-hmbc_61-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.660544 test 0: 61_61-hmbc_61-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 61_61-hmbc_61-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.9623 test 0: 61_61-hmbc_61-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmbcgplpndqf test 0: 61_61-hmbc_61-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=hmbc test 0: 61_61-hmbc_61-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 61_61-hmbc_61-hmbc.zip addProperty IFD.property.dataobject.timestamp=2021-12-04T17:45:31Z test 0: 61_61-hmbc_61-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-12-04T17:45:31Z test 0: 61_61-hmbc_61-hmbc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-191, CD3OD hmbc test 0: Phase 2.3 checking zip directory: 2 61/61-hmqc/61-hmqc.zip|24/ test 0: !Extractor Phase 2c rezipping 61/61-hmqc/61-hmqc.zip|24/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\61_61-hmqc_61-hmqc.zip test 0: 61_61-hmqc_61-hmqc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 61_61-hmqc_61-hmqc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 61_61-hmqc_61-hmqc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 61_61-hmqc_61-hmqc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 61_61-hmqc_61-hmqc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=13C test 0: 61_61-hmqc_61-hmqc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.32 test 0: 61_61-hmqc_61-hmqc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=100.660544 test 0: 61_61-hmqc_61-hmqc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 61_61-hmqc_61-hmqc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=295.3782 test 0: 61_61-hmqc_61-hmqc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=hmqcgpqf test 0: 61_61-hmqc_61-hmqc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=hmqc test 0: 61_61-hmqc_61-hmqc.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 61_61-hmqc_61-hmqc.zip addProperty IFD.property.dataobject.timestamp=2021-12-04T17:24:37Z test 0: 61_61-hmqc_61-hmqc.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-12-04T17:24:37Z test 0: 61_61-hmqc_61-hmqc.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-191, CD3OD hmqc test 0: Phase 2.3 checking zip directory: 2 61/61-cosy/61-cosy.zip|22/ test 0: !Extractor Phase 2c rezipping 61/61-cosy/61-cosy.zip|22/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\61_61-cosy_61-cosy.zip test 0: 61_61-cosy_61-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 61_61-cosy_61-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 61_61-cosy_61-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 61_61-cosy_61-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 61_61-cosy_61-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.32 test 0: 61_61-cosy_61-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 61_61-cosy_61-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.6888 test 0: 61_61-cosy_61-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=cosygpqf test 0: 61_61-cosy_61-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=cosy test 0: 61_61-cosy_61-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 61_61-cosy_61-cosy.zip addProperty IFD.property.dataobject.timestamp=2021-12-04T16:38:04Z test 0: 61_61-cosy_61-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-12-04T16:38:04Z test 0: 61_61-cosy_61-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 61_61-cosy_61-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-191, CD3OD cosy test 0: Phase 2.3 checking zip directory: 2 61/61-1H/61-1H.zip|20/ test 0: !Extractor Phase 2c rezipping 61/61-1H/61-1H.zip|20/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\61_61-1H_61-1H.zip test 0: 61_61-1H_61-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 61_61-1H_61-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 61_61-1H_61-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 61_61-1H_61-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.32 test 0: 61_61-1H_61-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 61_61-1H_61-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.6902 test 0: 61_61-1H_61-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 61_61-1H_61-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 61_61-1H_61-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 61_61-1H_61-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0625 test 0: 61_61-1H_61-1H.zip addProperty IFD.property.dataobject.timestamp=2021-12-04T16:18:22Z test 0: 61_61-1H_61-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-12-04T16:18:24Z test 0: 61_61-1H_61-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: 61_61-1H_61-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-191, CD3OD test 0: Phase 2.3 checking zip directory: 1086 62/ test 0: Phase 2.3 checking zip directory: 1089 62/62-X-Ray/ test 0: Phase 2.3 checking zip directory: 1091 62/62-hmbc/ test 0: Phase 2.3 checking zip directory: 1092 62/62-13C/ test 0: Phase 2.3 checking zip directory: 1094 62/62-cosy/ test 0: Phase 2.3 checking zip directory: 1095 62/62-hmqc/ test 0: Phase 2.3 checking zip directory: 1096 62/62-IR/ test 0: Phase 2.3 checking zip directory: 1098 62/62-1H/ test 0: Phase 2.3 checking zip directory: 2 62/62-1H/62-1H.zip|20/ test 0: !Extractor Phase 2c rezipping 62/62-1H/62-1H.zip|20/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\62_62-1H_62-1H.zip test 0: 62_62-1H_62-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 62_62-1H_62-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 62_62-1H_62-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 62_62-1H_62-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41 test 0: 62_62-1H_62-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 62_62-1H_62-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.102 test 0: 62_62-1H_62-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: 62_62-1H_62-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=proton test 0: 62_62-1H_62-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 62_62-1H_62-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 62_62-1H_62-1H.zip addProperty IFD.property.dataobject.timestamp=2021-12-04T15:34:49Z test 0: 62_62-1H_62-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-12-04T15:34:49Z test 0: 62_62-1H_62-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 62_62-1H_62-1H.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-199, CD3OD test 0: Phase 2.3 checking zip directory: 2 62/62-cosy/62-cosy.zip|21/ test 0: !Extractor Phase 2c rezipping 62/62-cosy/62-cosy.zip|21/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\62_62-cosy_62-cosy.zip test 0: 62_62-cosy_62-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 62_62-cosy_62-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=2D test 0: 62_62-cosy_62-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 62_62-cosy_62-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: 62_62-cosy_62-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.41 test 0: 62_62-cosy_62-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: 62_62-cosy_62-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=294.1235 test 0: 62_62-cosy_62-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=cosygpqf test 0: 62_62-cosy_62-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=cosy test 0: 62_62-cosy_62-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z108618/0624 test 0: 62_62-cosy_62-cosy.zip addProperty IFD.property.dataobject.timestamp=2021-12-04T15:47:51Z test 0: 62_62-cosy_62-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-12-04T15:47:51Z test 0: 62_62-cosy_62-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 62_62-cosy_62-cosy.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=TM-VI-199, CD3OD cosy test 0: Phase 2.3 checking zip directory: 2 62/62-13C/62-13C.zip|10/ test 0: !Extractor Phase 2c rezipping 62/62-13C/62-13C.zip|10/ as c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\Archive\62_62-13C_62-13C.zip test 0: 62_62-13C_62-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: 62_62-13C_62-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 62_62-13C_62-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: 62_62-13C_62-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: 62_62-13C_62-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=125.757789 test 0: 62_62-13C_62-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=500.13 test 0: 62_62-13C_62-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=500 test 0: 62_62-13C_62-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=296.9999 test 0: 62_62-13C_62-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: 62_62-13C_62-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=c13f test 0: 62_62-13C_62-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: 62_62-13C_62-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=5 mm PABBO BB/19F-1H/D Z-GRD Z113652/0172 test 0: 62_62-13C_62-13C.zip addProperty IFD.property.dataobject.timestamp=2021-12-07T15:06:39Z test 0: 62_62-13C_62-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2021-12-07T15:06:40Z test 0: 62_62-13C_62-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=MeOD test 0: 62_62-13C_62-13C.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=T Mies TM-VI-199 in CD3OD ; 13C{1H} spectrum using Av500 ; Dec07-2021/10 test 0: Phase 2.3 checking zip directory: 1121 65/ test 0: Phase 2.3 checking zip directory: 1123 65/65-IR/ test 0: Phase 2.3 checking zip directory: 1125 65/65-X-ray/ test 0: Phase 2.3 checking zip directory: 1130 66/ test 0: Phase 2.3 checking zip directory: 1131 66/66-X-ray/ test 0: Phase 2.3 checking zip directory: 1136 66/66-IR/ test 0: Phase 2.3 checking zip directory: 1139 70/ test 0: Phase 2.3 checking zip directory: 1141 70/70-IR/ test 0: Phase 2.3 checking zip directory: 1143 70/70-X-ray/ test 0: Phase 2.3 checking zip directory: 1148 73/ test 0: Phase 2.3 checking zip directory: 1151 73/73-x-ray/ test 0: Phase 2.3 checking zip directory: 1153 74/ test 0: Phase 2.3 checking zip directory: 1155 74/74-x-ray/ test 0: Phase 2.3 checking zip directory: 1158 75/ test 0: Phase 2.3 checking zip directory: 1159 75/75-x-ray/ test 0: Phase 2.3 checking zip directory: 1161 76/ test 0: Phase 2.3 checking zip directory: 1163 76/76-x-ray/ test 0: Phase 2.3 checking zip directory: 1 5/ test 0: Phase 2.3 checking zip directory: 2 5/5-13C in dmso-d6/ test 0: Phase 2.3 checking zip directory: 4 5/5-1H in dmso-d6/ test 0: Phase 2.3 checking zip directory: 6 5/5-X-ray/ test 0: Phase 2.3 checking zip directory: 8 5/5-13C in CD3OD/ test 0: Phase 2.3 checking zip directory: 9 5/5-IR/ test 0: Phase 2.3 checking zip directory: 12 5/5-1H in CD3OD/ test 0: Phase 2.3 checking zip directory: 2 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/ test 0: Phase 2.3 checking zip directory: 8 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 9 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/ test 0: Phase 2.3 checking zip directory: 9 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/ test 0: Phase 2.3 checking zip directory: 10 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/ test 0: Phase 2.3 checking zip directory: 9 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/ test 0: Phase 2.3 checking zip directory: 10 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/ test 0: Phase 2.3 checking zip directory: 10 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 11 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 31 6/ test 0: Phase 2.3 checking zip directory: 33 6/6-cosy in CDCl3/ test 0: Phase 2.3 checking zip directory: 35 6/6-13C in CD3OD/ test 0: Phase 2.3 checking zip directory: 36 6/6-IR/ test 0: Phase 2.3 checking zip directory: 39 6/6-13C in CDCl3/ test 0: Phase 2.3 checking zip directory: 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CD3OD.zip|30/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/ test 0: Phase 2.3 checking zip directory: 10 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/ test 0: Phase 2.3 checking zip directory: 11 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/ test 0: Phase 2.3 checking zip directory: 9 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/ test 0: Phase 2.3 checking zip directory: 10 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/ test 0: Phase 2.3 checking zip directory: 9 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/ test 0: Phase 2.3 checking zip directory: 10 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/1/ test 0: Phase 2.3 checking zip directory: 74 8/ test 0: Phase 2.3 checking zip directory: 75 8/8-IR/ test 0: Phase 2.3 checking zip directory: 78 8/8-1H in CDCl3/ test 0: 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directory: 160 10/10-cosy in CDCl3/ test 0: Phase 2.3 checking zip directory: 162 10/10-IR/ test 0: Phase 2.3 checking zip directory: 163 10/10-1H in CD3OD/ test 0: Phase 2.3 checking zip directory: 164 10/10-1H in CDCl3/ test 0: Phase 2.3 checking zip directory: 167 10/10-13C in CDCl3/ test 0: Phase 2.3 checking zip directory: 169 10/10-13C in CD3OD/ test 0: Phase 2.3 checking zip directory: 170 10/10-hmbc in CDCl3/ test 0: Phase 2.3 checking zip directory: 172 10/10-hmqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 173 10/10-hsqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 2 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/ test 0: Phase 2.3 checking zip directory: 9 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/ test 0: Phase 2.3 checking zip directory: 10 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/ test 0: Phase 2.3 checking zip directory: 9 10/10-13C in CD3OD/10-13C in 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zip directory: 9 11/11-hmbc/11-hmbc.zip|64/pdata/ test 0: Phase 2.3 checking zip directory: 10 11/11-hmbc/11-hmbc.zip|64/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 11/11-1H/11-1H.zip|60/ test 0: Phase 2.3 checking zip directory: 9 11/11-1H/11-1H.zip|60/pdata/ test 0: Phase 2.3 checking zip directory: 10 11/11-1H/11-1H.zip|60/pdata/1/ test 0: Phase 2.3 checking zip directory: 238 12/ test 0: Phase 2.3 checking zip directory: 239 12/12-hmbc/ test 0: Phase 2.3 checking zip directory: 240 12/12-hsqc/ test 0: Phase 2.3 checking zip directory: 244 12/12-1H/ test 0: Phase 2.3 checking zip directory: 245 12/12-X-ray/ test 0: Phase 2.3 checking zip directory: 246 12/12-cosy/ test 0: Phase 2.3 checking zip directory: 247 12/12-13C/ test 0: Phase 2.3 checking zip directory: 248 12/12-IR/ test 0: Phase 2.3 checking zip directory: 2 12/12-13C/12-13C.zip|73/ test 0: Phase 2.3 checking zip directory: 9 12/12-13C/12-13C.zip|73/pdata/ test 0: Phase 2.3 checking zip directory: 10 12/12-13C/12-13C.zip|73/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 12/12-1H/12-1H.zip|70/ test 0: Phase 2.3 checking zip directory: 8 12/12-1H/12-1H.zip|70/pdata/ test 0: Phase 2.3 checking zip directory: 9 12/12-1H/12-1H.zip|70/pdata/1/ test 0: Phase 2.3 checking zip directory: 273 14/ test 0: Phase 2.3 checking zip directory: 274 14/14-1H/ test 0: Phase 2.3 checking zip directory: 275 14/14-IR/ test 0: Phase 2.3 checking zip directory: 276 14/14-hsqc/ test 0: Phase 2.3 checking zip directory: 278 14/14-hmbc/ test 0: Phase 2.3 checking zip directory: 279 14/14-cosy/ test 0: Phase 2.3 checking zip directory: 282 14/14-13C/ test 0: Phase 2.3 checking zip directory: 285 14/14-X-ray/ test 0: Phase 2.3 checking zip directory: 2 14/14-13C/14-13C.zip|93/ test 0: Phase 2.3 checking zip directory: 9 14/14-13C/14-13C.zip|93/pdata/ test 0: Phase 2.3 checking zip directory: 10 14/14-13C/14-13C.zip|93/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 14/14-1H/14-1H.zip|90/ test 0: Phase 2.3 checking zip directory: 8 14/14-1H/14-1H.zip|90/pdata/ test 0: Phase 2.3 checking zip directory: 9 14/14-1H/14-1H.zip|90/pdata/1/ test 0: Phase 2.3 checking zip directory: 308 15/ test 0: Phase 2.3 checking zip directory: 309 15/15-IR/ test 0: Phase 2.3 checking zip directory: 310 15/15-1H/ test 0: Phase 2.3 checking zip directory: 313 15/15-X-ray/ test 0: Phase 2.3 checking zip directory: 314 15/15-solvate-X-ray/ test 0: Phase 2.3 checking zip directory: 316 15/15-13C/ test 0: Phase 2.3 checking zip directory: 2 15/15-13C/15b-13C.zip|32/ test 0: Phase 2.3 checking zip directory: 10 15/15-13C/15b-13C.zip|32/pdata/ test 0: Phase 2.3 checking zip directory: 11 15/15-13C/15b-13C.zip|32/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/ test 0: Phase 2.3 checking zip directory: 9 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/ test 0: Phase 2.3 checking zip directory: 10 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/ test 0: Phase 2.3 checking zip directory: 9 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/ test 0: Phase 2.3 checking zip directory: 10 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/1/ test 0: Phase 2.3 checking zip directory: 334 16/ test 0: Phase 2.3 checking zip directory: 337 16/16-hmbc/ test 0: Phase 2.3 checking zip directory: 340 16/16-1H/ test 0: Phase 2.3 checking zip directory: 341 16/16-13C/ test 0: Phase 2.3 checking zip directory: 342 16/16-X-ray/ test 0: Phase 2.3 checking zip directory: 344 16/16-IR/ test 0: Phase 2.3 checking zip directory: 345 16/16-hsqc/ test 0: Phase 2.3 checking zip directory: 2 16/16-13C/16-13C.zip|51/ test 0: Phase 2.3 checking zip directory: 10 16/16-13C/16-13C.zip|51/pdata/ test 0: Phase 2.3 checking zip directory: 11 16/16-13C/16-13C.zip|51/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 16/16-1H/16-1H.zip|50/ test 0: Phase 2.3 checking zip directory: 8 16/16-1H/16-1H.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 9 16/16-1H/16-1H.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 364 17/ test 0: Phase 2.3 checking zip directory: 367 17/17-cosy/ test 0: Phase 2.3 checking zip directory: 369 17/17-hmbc/ test 0: Phase 2.3 checking zip directory: 370 17/17-X-ray/ test 0: Phase 2.3 checking zip directory: 371 17/17-hsqc/ test 0: Phase 2.3 checking zip directory: 372 17/17-IR/ test 0: Phase 2.3 checking zip directory: 374 17/17-13C/ test 0: Phase 2.3 checking zip directory: 375 17/17-1H/ test 0: Phase 2.3 checking zip directory: 2 17/17-1H/17-1H.zip|50/ test 0: Phase 2.3 checking zip directory: 9 17/17-1H/17-1H.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 10 17/17-1H/17-1H.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 17/17-13C/17-13C.zip|1/ test 0: Phase 2.3 checking zip directory: 11 17/17-13C/17-13C.zip|1/pdata/ test 0: Phase 2.3 checking zip directory: 12 17/17-13C/17-13C.zip|1/pdata/1/ test 0: Phase 2.3 checking zip directory: 399 18/ test 0: Phase 2.3 checking zip directory: 400 18/18-X-ray/ test 0: Phase 2.3 checking zip directory: 401 18/18-hsqc/ test 0: Phase 2.3 checking zip directory: 403 18/18-13C/ test 0: Phase 2.3 checking zip directory: 405 18/18-hmbc/ test 0: Phase 2.3 checking zip directory: 407 18/18-1H/ test 0: Phase 2.3 checking zip directory: 408 18/18-IR/ test 0: Phase 2.3 checking zip directory: 2 18/18-1H/18-1H.zip|70/ test 0: Phase 2.3 checking zip directory: 8 18/18-1H/18-1H.zip|70/pdata/ test 0: Phase 2.3 checking zip directory: 9 18/18-1H/18-1H.zip|70/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 18/18-13C/18-13C.zip|71/ test 0: Phase 2.3 checking zip directory: 10 18/18-13C/18-13C.zip|71/pdata/ test 0: Phase 2.3 checking zip directory: 11 18/18-13C/18-13C.zip|71/pdata/1/ test 0: Phase 2.3 checking zip directory: 429 19/ test 0: Phase 2.3 checking zip directory: 431 19/19-hsqc/ test 0: Phase 2.3 checking 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zip directory: 467 20/20-hmbc/ test 0: Phase 2.3 checking zip directory: 468 20/20-hsqc/ test 0: Phase 2.3 checking zip directory: 2 20/20-13C/20-13C.zip|31/ test 0: Phase 2.3 checking zip directory: 9 20/20-13C/20-13C.zip|31/pdata/ test 0: Phase 2.3 checking zip directory: 10 20/20-13C/20-13C.zip|31/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 20/20-1H/20-1H.zip|30/ test 0: Phase 2.3 checking zip directory: 8 20/20-1H/20-1H.zip|30/pdata/ test 0: Phase 2.3 checking zip directory: 9 20/20-1H/20-1H.zip|30/pdata/1/ test 0: Phase 2.3 checking zip directory: 489 21/ test 0: Phase 2.3 checking zip directory: 490 21/21-13C/ test 0: Phase 2.3 checking zip directory: 492 21/21-IR/ test 0: Phase 2.3 checking zip directory: 493 21/21-X-ray/ test 0: Phase 2.3 checking zip directory: 494 21/21-1H/ test 0: Phase 2.3 checking zip directory: 495 21/21-cosy/ test 0: Phase 2.3 checking zip directory: 500 21/21-hmbc/ test 0: Phase 2.3 checking zip directory: 501 21/21-hsqc/ test 0: Phase 2.3 checking zip directory: 2 21/21-1H/21-1H.zip|60/ test 0: Phase 2.3 checking zip directory: 8 21/21-1H/21-1H.zip|60/pdata/ test 0: Phase 2.3 checking zip directory: 9 21/21-1H/21-1H.zip|60/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 21/21-13C/21-13C.zip|1/ test 0: Phase 2.3 checking zip directory: 9 21/21-13C/21-13C.zip|1/pdata/ test 0: Phase 2.3 checking zip directory: 10 21/21-13C/21-13C.zip|1/pdata/1/ test 0: Phase 2.3 checking zip directory: 525 24/ test 0: Phase 2.3 checking zip directory: 527 24/24-hmbc/ test 0: Phase 2.3 checking zip directory: 528 24/24-1H/ test 0: Phase 2.3 checking zip directory: 530 24/24-13C/ test 0: Phase 2.3 checking zip directory: 531 24/24-IR/ test 0: Phase 2.3 checking zip directory: 532 24/24-X-ray/ test 0: Phase 2.3 checking zip directory: 533 24/24-hsqc/ test 0: Phase 2.3 checking zip directory: 537 24/24-cosy/ test 0: Phase 2.3 checking zip directory: 2 24/24-13C/24-13C.zip|44/ test 0: Phase 2.3 checking zip directory: 9 24/24-13C/24-13C.zip|44/pdata/ test 0: Phase 2.3 checking zip directory: 10 24/24-13C/24-13C.zip|44/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 24/24-1H/24-1H.zip|40/ test 0: Phase 2.3 checking zip directory: 8 24/24-1H/24-1H.zip|40/pdata/ test 0: Phase 2.3 checking zip directory: 9 24/24-1H/24-1H.zip|40/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 24/24-hmbc/24-hmbc.zip|43/ test 0: Phase 2.3 checking zip directory: 10 24/24-hmbc/24-hmbc.zip|43/pdata/ test 0: Phase 2.3 checking zip directory: 11 24/24-hmbc/24-hmbc.zip|43/pdata/1/ test 0: Phase 2.3 checking zip directory: 560 25/ test 0: Phase 2.3 checking zip directory: 562 25/25-X-ray/ test 0: Phase 2.3 checking zip directory: 563 25/25-IR/ test 0: Phase 2.3 checking zip directory: 565 25/25-1H/ test 0: Phase 2.3 checking zip directory: 566 25/25-hmbc/ test 0: Phase 2.3 checking zip directory: 567 25/25-13C/ test 0: Phase 2.3 checking zip directory: 568 25/25-hsqc/ test 0: Phase 2.3 checking zip directory: 572 25/25-cosy/ test 0: Phase 2.3 checking zip directory: 2 25/25-13C/25-13C.zip|73/ test 0: Phase 2.3 checking zip directory: 10 25/25-13C/25-13C.zip|73/pdata/ test 0: Phase 2.3 checking zip directory: 11 25/25-13C/25-13C.zip|73/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 25/25-1H/25-1H.zip|70/ test 0: Phase 2.3 checking zip directory: 9 25/25-1H/25-1H.zip|70/pdata/ test 0: Phase 2.3 checking zip directory: 10 25/25-1H/25-1H.zip|70/pdata/1/ test 0: Phase 2.3 checking zip directory: 595 28/ test 0: Phase 2.3 checking zip directory: 596 28/28-hmbc/ test 0: Phase 2.3 checking zip directory: 598 28/28-hsqc/ test 0: Phase 2.3 checking zip directory: 599 28/28-1H/ test 0: Phase 2.3 checking zip directory: 601 28/28-X-ray/ test 0: Phase 2.3 checking zip directory: 603 28/28-IR/ test 0: Phase 2.3 checking zip directory: 604 28/28-13C/ test 0: Phase 2.3 checking zip directory: 2 28/28-13C/28-13C.zip|21/ test 0: Phase 2.3 checking zip directory: 10 28/28-13C/28-13C.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 11 28/28-13C/28-13C.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 28/28-1H/28-1H.zip|20/ test 0: Phase 2.3 checking zip directory: 9 28/28-1H/28-1H.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 10 28/28-1H/28-1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 625 33/ test 0: Phase 2.3 checking zip directory: 628 33/33-acetone-d6/ test 0: Phase 2.3 checking zip directory: 629 33/33-CDCl3/ test 0: Phase 2.3 checking zip directory: 631 33/33-x-ray/ test 0: Phase 2.3 checking zip directory: 632 33/33-IR/ test 0: Phase 2.3 checking zip directory: 636 33/33-CDCl3/33-in CDCl3 hmbc/ test 0: Phase 2.3 checking zip directory: 637 33/33-CDCl3/33-in CDCl3 13C/ test 0: Phase 2.3 checking zip directory: 639 33/33-CDCl3/33-in CDCl3 1H/ test 0: Phase 2.3 checking zip directory: 640 33/33-CDCl3/33-in CDCl3 hmqc/ test 0: Phase 2.3 checking zip directory: 641 33/33-CDCl3/33-in CDCl3 cosy/ test 0: Phase 2.3 checking zip directory: 2 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/ test 0: Phase 2.3 checking zip directory: 10 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/ test 0: Phase 2.3 checking zip directory: 11 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/ test 0: Phase 2.3 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/ test 0: Phase 2.3 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/ test 0: Phase 2.3 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/ test 0: Phase 2.3 checking zip directory: 10 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/ test 0: Phase 2.3 checking zip directory: 10 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/ test 0: Phase 2.3 checking zip directory: 11 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/1/ test 0: Phase 2.3 checking zip directory: 662 33/33-acetone-d6/33-in acetone-d6 13C/ test 0: Phase 2.3 checking zip directory: 663 33/33-acetone-d6/33-in acetone-d6 hmbc/ test 0: Phase 2.3 checking zip directory: 664 33/33-acetone-d6/33-in acetone-d6 1H/ test 0: Phase 2.3 checking zip directory: 666 33/33-acetone-d6/33-in acetone-d6 hmqc/ test 0: Phase 2.3 checking zip directory: 2 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/ test 0: Phase 2.3 checking zip directory: 8 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/ test 0: Phase 2.3 checking zip directory: 9 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/ test 0: Phase 2.3 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34/34-NMR-CDCl3/34-in CDCl3 13C/ test 0: Phase 2.3 checking zip directory: 695 34/34-NMR-CDCl3/34-in CDCl3 hsqc/ test 0: Phase 2.3 checking zip directory: 696 34/34-NMR-CDCl3/34-in CDCl3 1H/ test 0: Phase 2.3 checking zip directory: 697 34/34-NMR-CDCl3/34-in CDCl3 cosy/ test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/ test 0: Phase 2.3 checking zip directory: 10 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/pdata/ test 0: Phase 2.3 checking zip directory: 11 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/ test 0: Phase 2.3 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/pdata/ test 0: Phase 2.3 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/ test 0: Phase 2.3 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/pdata/ test 0: Phase 2.3 checking zip directory: 10 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/ test 0: Phase 2.3 checking zip directory: 10 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/ test 0: Phase 2.3 checking zip directory: 11 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/1/ test 0: Phase 2.3 checking zip directory: 719 34/34-NMR-acetone-d6/34-in acetone-d6 13C/ test 0: Phase 2.3 checking zip directory: 720 34/34-NMR-acetone-d6/34-in acetone-d6 1H/ test 0: Phase 2.3 checking zip directory: 721 34/34-NMR-acetone-d6/34-in acetone-d6 hmbc/ test 0: Phase 2.3 checking zip directory: 722 34/34-NMR-acetone-d6/34-in acetone-d6 hsqc/ test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/ test 0: Phase 2.3 checking zip directory: 8 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/ test 0: Phase 2.3 checking zip directory: 9 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/ test 0: Phase 2.3 checking zip directory: 10 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/ test 0: Phase 2.3 checking zip directory: 11 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/1/ test 0: Phase 2.3 checking zip directory: 741 37/ test 0: Phase 2.3 checking zip directory: 745 37/37-13C/ test 0: Phase 2.3 checking zip directory: 746 37/37-cosy/ test 0: Phase 2.3 checking zip directory: 747 37/37-X-ray/ test 0: Phase 2.3 checking zip directory: 749 37/37-hmbc/ test 0: Phase 2.3 checking zip directory: 750 37/37-IR/ test 0: Phase 2.3 checking zip directory: 752 37/37-hsqc/ test 0: Phase 2.3 checking zip directory: 753 37/37-1H/ test 0: Phase 2.3 checking zip directory: 2 37/37-1H/37-1H.zip|50/ test 0: Phase 2.3 checking zip directory: 8 37/37-1H/37-1H.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 9 37/37-1H/37-1H.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 37/37-cosy/37-cosy.zip|21/ test 0: Phase 2.3 checking zip directory: 10 37/37-cosy/37-cosy.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 11 37/37-cosy/37-cosy.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 37/37-13C/37-3C.zip|23/ test 0: Phase 2.3 checking zip directory: 10 37/37-13C/37-3C.zip|23/pdata/ test 0: Phase 2.3 checking zip directory: 11 37/37-13C/37-3C.zip|23/pdata/1/ test 0: Phase 2.3 checking zip directory: 776 38/ test 0: Phase 2.3 checking zip directory: 777 38/38-X-ray/ test 0: Phase 2.3 checking zip directory: 779 38/38-hmbc/ test 0: Phase 2.3 checking zip directory: 782 38/38-hmqc/ test 0: Phase 2.3 checking zip directory: 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test 0: Phase 2.3 checking zip directory: 10 38/38-hmbc/38-hmbc.zip|44/pdata/1/ test 0: Phase 2.3 checking zip directory: 811 39/ test 0: Phase 2.3 checking zip directory: 815 39/39-X-ray/ test 0: Phase 2.3 checking zip directory: 817 39/39-hmbc/ test 0: Phase 2.3 checking zip directory: 818 39/39b-X-ray/ test 0: Phase 2.3 checking zip directory: 819 39/39-IR/ test 0: Phase 2.3 checking zip directory: 820 39/39-1H/ test 0: Phase 2.3 checking zip directory: 821 39/39-cosy/ test 0: Phase 2.3 checking zip directory: 822 39/39-hmqc/ test 0: Phase 2.3 checking zip directory: 824 39/39-13C/ test 0: Phase 2.3 checking zip directory: 2 39/39-13C/39-13C.zip|43/ test 0: Phase 2.3 checking zip directory: 10 39/39-13C/39-13C.zip|43/pdata/ test 0: Phase 2.3 checking zip directory: 11 39/39-13C/39-13C.zip|43/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 39/39-cosy/39-cosy.zip|41/ test 0: Phase 2.3 checking zip directory: 9 39/39-cosy/39-cosy.zip|41/pdata/ test 0: Phase 2.3 checking zip directory: 10 39/39-cosy/39-cosy.zip|41/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 39/39-1H/39-1H.zip|40/ test 0: Phase 2.3 checking zip directory: 9 39/39-1H/39-1H.zip|40/pdata/ test 0: Phase 2.3 checking zip directory: 10 39/39-1H/39-1H.zip|40/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 39/39-hmbc/39-hmbc.zip|44/ test 0: Phase 2.3 checking zip directory: 9 39/39-hmbc/39-hmbc.zip|44/pdata/ test 0: Phase 2.3 checking zip directory: 10 39/39-hmbc/39-hmbc.zip|44/pdata/1/ test 0: Phase 2.3 checking zip directory: 848 40/ test 0: Phase 2.3 checking zip directory: 849 40/40-IR/ test 0: Phase 2.3 checking zip directory: 850 40/40-1H/ test 0: Phase 2.3 checking zip directory: 851 40/40-X-ray/ test 0: Phase 2.3 checking zip directory: 854 40/40-13C/ test 0: Phase 2.3 checking zip directory: 856 40/40-cosy/ test 0: Phase 2.3 checking zip directory: 857 40/40-hmqc/ test 0: Phase 2.3 checking zip directory: 859 40/40-hmbc/ test 0: Phase 2.3 checking zip directory: 2 40/40-hmbc/40-hmbc.zip|24/ test 0: Phase 2.3 checking zip directory: 9 40/40-hmbc/40-hmbc.zip|24/pdata/ test 0: Phase 2.3 checking zip directory: 10 40/40-hmbc/40-hmbc.zip|24/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 40/40-cosy/40-cosy.zip|21/ test 0: Phase 2.3 checking zip directory: 9 40/40-cosy/40-cosy.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 10 40/40-cosy/40-cosy.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 40/40-13C/40-13C.zip|23/ test 0: Phase 2.3 checking zip directory: 10 40/40-13C/40-13C.zip|23/pdata/ test 0: Phase 2.3 checking zip directory: 11 40/40-13C/40-13C.zip|23/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 40/40-1H/40-1H.zip|20/ test 0: Phase 2.3 checking zip directory: 8 40/40-1H/40-1H.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 9 40/40-1H/40-1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 883 42/ test 0: Phase 2.3 checking zip directory: 884 42/42-X-ray/ test 0: Phase 2.3 checking zip directory: 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62/62-13C/62-13C.zip|10/pdata/ test 0: Phase 2.3 checking zip directory: 11 62/62-13C/62-13C.zip|10/pdata/1/ test 0: Phase 2.3 checking zip directory: 1121 65/ test 0: Phase 2.3 checking zip directory: 1123 65/65-IR/ test 0: Phase 2.3 checking zip directory: 1125 65/65-X-ray/ test 0: Phase 2.3 checking zip directory: 1130 66/ test 0: Phase 2.3 checking zip directory: 1131 66/66-X-ray/ test 0: Phase 2.3 checking zip directory: 1136 66/66-IR/ test 0: Phase 2.3 checking zip directory: 1139 70/ test 0: Phase 2.3 checking zip directory: 1141 70/70-IR/ test 0: Phase 2.3 checking zip directory: 1143 70/70-X-ray/ test 0: Phase 2.3 checking zip directory: 1148 73/ test 0: Phase 2.3 checking zip directory: 1151 73/73-x-ray/ test 0: Phase 2.3 checking zip directory: 1153 74/ test 0: Phase 2.3 checking zip directory: 1155 74/74-x-ray/ test 0: Phase 2.3 checking zip directory: 1158 75/ test 0: Phase 2.3 checking zip directory: 1159 75/75-x-ray/ test 0: Phase 2.3 checking zip directory: 1161 76/ test 0: Phase 2.3 checking zip directory: 1163 76/76-x-ray/ test 0: Phase 2.3 checking zip directory: 1 5/ test 0: Phase 2.3 checking zip directory: 2 5/5-13C in dmso-d6/ test 0: Phase 2.3 checking zip directory: 4 5/5-1H in dmso-d6/ test 0: Phase 2.3 checking zip directory: 6 5/5-X-ray/ test 0: Phase 2.3 checking zip directory: 8 5/5-13C in CD3OD/ test 0: Phase 2.3 checking zip directory: 9 5/5-IR/ test 0: Phase 2.3 checking zip directory: 12 5/5-1H in CD3OD/ test 0: Phase 2.3 checking zip directory: 2 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/ test 0: Phase 2.3 checking zip directory: 8 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 9 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/ test 0: Phase 2.3 checking zip directory: 9 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/ test 0: Phase 2.3 checking zip directory: 10 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/1/ test 0: 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directory: 42 6/6-hmbc in CDCl3/ test 0: Phase 2.3 checking zip directory: 44 6/6-hsqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 2 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/ test 0: Phase 2.3 checking zip directory: 9 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/ test 0: Phase 2.3 checking zip directory: 10 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/ test 0: Phase 2.3 checking zip directory: 8 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 9 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/ test 0: Phase 2.3 checking zip directory: 8 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/ test 0: Phase 2.3 checking zip directory: 9 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/ test 0: Phase 2.3 checking zip directory: 10 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/ test 0: Phase 2.3 checking zip directory: 11 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/ test 0: Phase 2.3 checking zip directory: 9 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/ test 0: Phase 2.3 checking zip directory: 10 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/ test 0: Phase 2.3 checking zip directory: 9 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/ test 0: Phase 2.3 checking zip directory: 10 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/1/ test 0: Phase 2.3 checking zip directory: 74 8/ test 0: Phase 2.3 checking zip directory: 75 8/8-IR/ test 0: Phase 2.3 checking zip directory: 78 8/8-1H in CDCl3/ test 0: Phase 2.3 checking zip directory: 80 8/8-1H in CD3OD/ test 0: Phase 2.3 checking zip directory: 81 8/8-hmqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 82 8/8-hsqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 84 8/8-hmbc in CDCl3/ test 0: Phase 2.3 checking zip directory: 86 8/8-13C in CDCl3/ test 0: Phase 2.3 checking zip directory: 87 8/8-13C in CD3OD/ test 0: Phase 2.3 checking zip directory: 2 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/ test 0: Phase 2.3 checking zip directory: 10 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 11 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/ test 0: Phase 2.3 checking zip directory: 9 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/ test 0: Phase 2.3 checking zip directory: 10 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/ test 0: Phase 2.3 checking zip directory: 9 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/ test 0: Phase 2.3 checking zip directory: 10 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/ test 0: Phase 2.3 checking zip directory: 9 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 10 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/ test 0: Phase 2.3 checking zip directory: 8 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/ test 0: Phase 2.3 checking zip directory: 9 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/1/ test 0: Phase 2.3 checking zip directory: 113 9/ test 0: Phase 2.3 checking zip directory: 114 9/9-enol-HMBC/ test 0: Phase 2.3 checking zip directory: 115 9/9-enol-13C/ test 0: Phase 2.3 checking zip directory: 116 9/9-IR/ test 0: Phase 2.3 checking zip directory: 118 9/9-enol-HSQC/ test 0: Phase 2.3 checking zip directory: 119 9/9-keto-13C/ test 0: Phase 2.3 checking zip directory: 120 9/9-enol-1H/ test 0: Phase 2.3 checking zip directory: 124 9/9-enol-HMQC/ test 0: Phase 2.3 checking zip directory: 126 9/9-enol-cosy/ test 0: Phase 2.3 checking zip directory: 127 9/9-enolHMBC/ test 0: Phase 2.3 checking zip directory: 129 9/9-keto-1H/ test 0: Phase 2.3 checking zip directory: 2 9/9-keto-1H/9-keto form 1H.zip|20/ test 0: Phase 2.3 checking zip directory: 9 9/9-keto-1H/9-keto form 1H.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 10 9/9-keto-1H/9-keto form 1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 9/9-enol-cosy/9-enol form cosy.zip|11/ test 0: Phase 2.3 checking zip directory: 10 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/ test 0: Phase 2.3 checking zip directory: 11 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 9/9-enol-1H/9-enol form 1H.zip|10/ test 0: Phase 2.3 checking zip directory: 9 9/9-enol-1H/9-enol form 1H.zip|10/pdata/ test 0: Phase 2.3 checking zip directory: 10 9/9-enol-1H/9-enol form 1H.zip|10/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 9/9-keto-13C/9-keto form 13C.zip|21/ test 0: Phase 2.3 checking zip directory: 10 9/9-keto-13C/9-keto form 13C.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 11 9/9-keto-13C/9-keto form 13C.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 9/9-enol-13C/9-enol form 13C.zip|13/ test 0: Phase 2.3 checking zip directory: 10 9/9-enol-13C/9-enol form 13C.zip|13/pdata/ test 0: Phase 2.3 checking zip directory: 11 9/9-enol-13C/9-enol form 13C.zip|13/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 9/9-enol-HMBC/9-enol form hmbc.zip|14/ test 0: Phase 2.3 checking zip directory: 10 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/ test 0: Phase 2.3 checking zip directory: 11 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/1/ test 0: Phase 2.3 checking zip directory: 159 10/ test 0: Phase 2.3 checking zip directory: 160 10/10-cosy in CDCl3/ test 0: Phase 2.3 checking zip directory: 162 10/10-IR/ test 0: Phase 2.3 checking zip directory: 163 10/10-1H in CD3OD/ test 0: Phase 2.3 checking zip directory: 164 10/10-1H in CDCl3/ test 0: Phase 2.3 checking zip directory: 167 10/10-13C in CDCl3/ test 0: Phase 2.3 checking zip directory: 169 10/10-13C in CD3OD/ test 0: Phase 2.3 checking zip directory: 170 10/10-hmbc in CDCl3/ test 0: Phase 2.3 checking zip directory: 172 10/10-hmqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 173 10/10-hsqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 2 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/ test 0: Phase 2.3 checking zip directory: 9 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/ test 0: Phase 2.3 checking zip directory: 10 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/ test 0: Phase 2.3 checking zip directory: 9 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/ test 0: Phase 2.3 checking zip directory: 10 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/ test 0: Phase 2.3 checking zip directory: 9 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/ test 0: Phase 2.3 checking zip directory: 10 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/ test 0: Phase 2.3 checking zip directory: 8 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 9 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/ test 0: Phase 2.3 checking zip directory: 8 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/ test 0: Phase 2.3 checking zip directory: 9 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/ test 0: Phase 2.3 checking zip directory: 10 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/ test 0: Phase 2.3 checking zip directory: 11 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/1/ test 0: Phase 2.3 checking zip directory: 203 11/ test 0: Phase 2.3 checking zip directory: 204 11/11-IR/ test 0: Phase 2.3 checking zip directory: 205 11/11-1H/ test 0: Phase 2.3 checking zip directory: 206 11/11-cosy/ test 0: Phase 2.3 checking zip directory: 209 11/11-hsqc/ test 0: Phase 2.3 checking zip directory: 210 11/11-X-ray/ test 0: Phase 2.3 checking zip directory: 213 11/11-hmbc/ test 0: Phase 2.3 checking zip directory: 215 11/11-13C/ test 0: Phase 2.3 checking zip directory: 2 11/11-13C/11-13C.zip|63/ test 0: Phase 2.3 checking zip directory: 10 11/11-13C/11-13C.zip|63/pdata/ test 0: Phase 2.3 checking zip directory: 11 11/11-13C/11-13C.zip|63/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 11/11-hmbc/11-hmbc.zip|64/ test 0: Phase 2.3 checking zip directory: 9 11/11-hmbc/11-hmbc.zip|64/pdata/ test 0: Phase 2.3 checking zip directory: 10 11/11-hmbc/11-hmbc.zip|64/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 11/11-1H/11-1H.zip|60/ test 0: Phase 2.3 checking zip directory: 9 11/11-1H/11-1H.zip|60/pdata/ test 0: Phase 2.3 checking zip directory: 10 11/11-1H/11-1H.zip|60/pdata/1/ test 0: Phase 2.3 checking zip directory: 238 12/ test 0: Phase 2.3 checking zip directory: 239 12/12-hmbc/ test 0: Phase 2.3 checking zip directory: 240 12/12-hsqc/ test 0: Phase 2.3 checking zip directory: 244 12/12-1H/ test 0: Phase 2.3 checking zip directory: 245 12/12-X-ray/ test 0: Phase 2.3 checking zip directory: 246 12/12-cosy/ test 0: Phase 2.3 checking zip directory: 247 12/12-13C/ test 0: Phase 2.3 checking zip directory: 248 12/12-IR/ test 0: Phase 2.3 checking zip directory: 2 12/12-13C/12-13C.zip|73/ test 0: Phase 2.3 checking zip directory: 9 12/12-13C/12-13C.zip|73/pdata/ test 0: Phase 2.3 checking zip directory: 10 12/12-13C/12-13C.zip|73/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 12/12-1H/12-1H.zip|70/ test 0: Phase 2.3 checking zip directory: 8 12/12-1H/12-1H.zip|70/pdata/ test 0: Phase 2.3 checking zip directory: 9 12/12-1H/12-1H.zip|70/pdata/1/ test 0: Phase 2.3 checking zip directory: 273 14/ test 0: Phase 2.3 checking zip directory: 274 14/14-1H/ test 0: Phase 2.3 checking zip directory: 275 14/14-IR/ test 0: Phase 2.3 checking zip directory: 276 14/14-hsqc/ test 0: Phase 2.3 checking zip directory: 278 14/14-hmbc/ test 0: Phase 2.3 checking zip directory: 279 14/14-cosy/ test 0: Phase 2.3 checking zip directory: 282 14/14-13C/ test 0: Phase 2.3 checking zip directory: 285 14/14-X-ray/ test 0: Phase 2.3 checking zip directory: 2 14/14-13C/14-13C.zip|93/ test 0: Phase 2.3 checking zip directory: 9 14/14-13C/14-13C.zip|93/pdata/ test 0: Phase 2.3 checking zip directory: 10 14/14-13C/14-13C.zip|93/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 14/14-1H/14-1H.zip|90/ test 0: Phase 2.3 checking zip directory: 8 14/14-1H/14-1H.zip|90/pdata/ test 0: Phase 2.3 checking zip directory: 9 14/14-1H/14-1H.zip|90/pdata/1/ test 0: Phase 2.3 checking zip directory: 308 15/ test 0: Phase 2.3 checking zip directory: 309 15/15-IR/ test 0: Phase 2.3 checking zip directory: 310 15/15-1H/ test 0: Phase 2.3 checking zip directory: 313 15/15-X-ray/ test 0: Phase 2.3 checking zip directory: 314 15/15-solvate-X-ray/ test 0: Phase 2.3 checking zip directory: 316 15/15-13C/ test 0: Phase 2.3 checking zip directory: 2 15/15-13C/15b-13C.zip|32/ test 0: Phase 2.3 checking zip directory: 10 15/15-13C/15b-13C.zip|32/pdata/ test 0: Phase 2.3 checking zip directory: 11 15/15-13C/15b-13C.zip|32/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/ test 0: Phase 2.3 checking zip directory: 9 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/ test 0: Phase 2.3 checking zip directory: 10 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/ test 0: Phase 2.3 checking zip directory: 9 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/ test 0: Phase 2.3 checking zip directory: 10 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/1/ test 0: Phase 2.3 checking zip directory: 334 16/ test 0: Phase 2.3 checking zip directory: 337 16/16-hmbc/ test 0: Phase 2.3 checking zip directory: 340 16/16-1H/ test 0: Phase 2.3 checking zip directory: 341 16/16-13C/ test 0: Phase 2.3 checking zip directory: 342 16/16-X-ray/ test 0: Phase 2.3 checking zip directory: 344 16/16-IR/ test 0: Phase 2.3 checking zip directory: 345 16/16-hsqc/ test 0: Phase 2.3 checking zip directory: 2 16/16-13C/16-13C.zip|51/ test 0: Phase 2.3 checking zip directory: 10 16/16-13C/16-13C.zip|51/pdata/ test 0: Phase 2.3 checking zip directory: 11 16/16-13C/16-13C.zip|51/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 16/16-1H/16-1H.zip|50/ test 0: Phase 2.3 checking zip directory: 8 16/16-1H/16-1H.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 9 16/16-1H/16-1H.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 364 17/ test 0: Phase 2.3 checking zip directory: 367 17/17-cosy/ test 0: Phase 2.3 checking zip directory: 369 17/17-hmbc/ test 0: Phase 2.3 checking zip directory: 370 17/17-X-ray/ test 0: Phase 2.3 checking zip directory: 371 17/17-hsqc/ test 0: Phase 2.3 checking zip directory: 372 17/17-IR/ test 0: Phase 2.3 checking zip directory: 374 17/17-13C/ test 0: Phase 2.3 checking zip directory: 375 17/17-1H/ test 0: Phase 2.3 checking zip directory: 2 17/17-1H/17-1H.zip|50/ test 0: Phase 2.3 checking zip directory: 9 17/17-1H/17-1H.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 10 17/17-1H/17-1H.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 17/17-13C/17-13C.zip|1/ test 0: Phase 2.3 checking zip directory: 11 17/17-13C/17-13C.zip|1/pdata/ test 0: Phase 2.3 checking zip directory: 12 17/17-13C/17-13C.zip|1/pdata/1/ test 0: Phase 2.3 checking zip directory: 399 18/ test 0: Phase 2.3 checking zip directory: 400 18/18-X-ray/ test 0: Phase 2.3 checking zip directory: 401 18/18-hsqc/ test 0: Phase 2.3 checking zip directory: 403 18/18-13C/ test 0: Phase 2.3 checking zip directory: 405 18/18-hmbc/ test 0: Phase 2.3 checking zip directory: 407 18/18-1H/ test 0: Phase 2.3 checking zip directory: 408 18/18-IR/ test 0: Phase 2.3 checking zip directory: 2 18/18-1H/18-1H.zip|70/ test 0: Phase 2.3 checking zip directory: 8 18/18-1H/18-1H.zip|70/pdata/ test 0: Phase 2.3 checking zip directory: 9 18/18-1H/18-1H.zip|70/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 18/18-13C/18-13C.zip|71/ test 0: Phase 2.3 checking zip directory: 10 18/18-13C/18-13C.zip|71/pdata/ test 0: Phase 2.3 checking zip directory: 11 18/18-13C/18-13C.zip|71/pdata/1/ test 0: Phase 2.3 checking zip directory: 429 19/ test 0: Phase 2.3 checking zip directory: 431 19/19-hsqc/ test 0: Phase 2.3 checking zip directory: 434 19/19-13C/ test 0: Phase 2.3 checking zip directory: 436 19/19-X-ray/ test 0: Phase 2.3 checking zip directory: 437 19/19-hmbc/ test 0: Phase 2.3 checking zip directory: 438 19/19-IR/ test 0: Phase 2.3 checking zip directory: 439 19/19-1H/ test 0: Phase 2.3 checking zip directory: 2 19/19-1H/19-1H.zip|20/ test 0: Phase 2.3 checking zip directory: 8 19/19-1H/19-1H.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 9 19/19-1H/19-1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 19/19-13C/19-13C.zip|21/ test 0: Phase 2.3 checking zip directory: 9 19/19-13C/19-13C.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 10 19/19-13C/19-13C.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 459 20/ test 0: Phase 2.3 checking zip directory: 460 20/20-1H/ test 0: Phase 2.3 checking zip directory: 461 20/20-13C/ test 0: Phase 2.3 checking zip directory: 463 20/20-IR/ test 0: Phase 2.3 checking zip directory: 465 20/20-X-ray/ test 0: Phase 2.3 checking zip directory: 467 20/20-hmbc/ test 0: Phase 2.3 checking zip directory: 468 20/20-hsqc/ test 0: Phase 2.3 checking zip directory: 2 20/20-13C/20-13C.zip|31/ test 0: Phase 2.3 checking zip directory: 9 20/20-13C/20-13C.zip|31/pdata/ test 0: Phase 2.3 checking zip directory: 10 20/20-13C/20-13C.zip|31/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 20/20-1H/20-1H.zip|30/ test 0: Phase 2.3 checking zip directory: 8 20/20-1H/20-1H.zip|30/pdata/ test 0: Phase 2.3 checking zip directory: 9 20/20-1H/20-1H.zip|30/pdata/1/ test 0: Phase 2.3 checking zip directory: 489 21/ test 0: Phase 2.3 checking zip directory: 490 21/21-13C/ test 0: Phase 2.3 checking zip directory: 492 21/21-IR/ test 0: Phase 2.3 checking zip directory: 493 21/21-X-ray/ test 0: Phase 2.3 checking zip directory: 494 21/21-1H/ test 0: Phase 2.3 checking zip directory: 495 21/21-cosy/ test 0: Phase 2.3 checking zip directory: 500 21/21-hmbc/ test 0: Phase 2.3 checking zip directory: 501 21/21-hsqc/ test 0: Phase 2.3 checking zip directory: 2 21/21-1H/21-1H.zip|60/ test 0: Phase 2.3 checking zip directory: 8 21/21-1H/21-1H.zip|60/pdata/ test 0: Phase 2.3 checking zip directory: 9 21/21-1H/21-1H.zip|60/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 21/21-13C/21-13C.zip|1/ test 0: Phase 2.3 checking zip directory: 9 21/21-13C/21-13C.zip|1/pdata/ test 0: Phase 2.3 checking zip directory: 10 21/21-13C/21-13C.zip|1/pdata/1/ test 0: Phase 2.3 checking zip directory: 525 24/ test 0: Phase 2.3 checking zip directory: 527 24/24-hmbc/ test 0: Phase 2.3 checking zip directory: 528 24/24-1H/ test 0: Phase 2.3 checking zip directory: 530 24/24-13C/ test 0: Phase 2.3 checking zip directory: 531 24/24-IR/ test 0: Phase 2.3 checking zip directory: 532 24/24-X-ray/ test 0: Phase 2.3 checking zip directory: 533 24/24-hsqc/ test 0: Phase 2.3 checking zip directory: 537 24/24-cosy/ test 0: Phase 2.3 checking zip directory: 2 24/24-13C/24-13C.zip|44/ test 0: Phase 2.3 checking zip directory: 9 24/24-13C/24-13C.zip|44/pdata/ test 0: Phase 2.3 checking zip directory: 10 24/24-13C/24-13C.zip|44/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 24/24-1H/24-1H.zip|40/ test 0: Phase 2.3 checking zip directory: 8 24/24-1H/24-1H.zip|40/pdata/ test 0: Phase 2.3 checking zip directory: 9 24/24-1H/24-1H.zip|40/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 24/24-hmbc/24-hmbc.zip|43/ test 0: Phase 2.3 checking zip directory: 10 24/24-hmbc/24-hmbc.zip|43/pdata/ test 0: Phase 2.3 checking zip directory: 11 24/24-hmbc/24-hmbc.zip|43/pdata/1/ test 0: Phase 2.3 checking zip directory: 560 25/ test 0: Phase 2.3 checking zip directory: 562 25/25-X-ray/ test 0: Phase 2.3 checking zip directory: 563 25/25-IR/ test 0: Phase 2.3 checking zip directory: 565 25/25-1H/ test 0: Phase 2.3 checking zip directory: 566 25/25-hmbc/ test 0: Phase 2.3 checking zip directory: 567 25/25-13C/ test 0: Phase 2.3 checking zip directory: 568 25/25-hsqc/ test 0: Phase 2.3 checking zip directory: 572 25/25-cosy/ test 0: Phase 2.3 checking zip directory: 2 25/25-13C/25-13C.zip|73/ test 0: Phase 2.3 checking zip directory: 10 25/25-13C/25-13C.zip|73/pdata/ test 0: Phase 2.3 checking zip directory: 11 25/25-13C/25-13C.zip|73/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 25/25-1H/25-1H.zip|70/ test 0: Phase 2.3 checking zip directory: 9 25/25-1H/25-1H.zip|70/pdata/ test 0: Phase 2.3 checking zip directory: 10 25/25-1H/25-1H.zip|70/pdata/1/ test 0: Phase 2.3 checking zip directory: 595 28/ test 0: Phase 2.3 checking zip directory: 596 28/28-hmbc/ test 0: Phase 2.3 checking zip directory: 598 28/28-hsqc/ test 0: Phase 2.3 checking zip directory: 599 28/28-1H/ test 0: Phase 2.3 checking zip directory: 601 28/28-X-ray/ test 0: Phase 2.3 checking zip directory: 603 28/28-IR/ test 0: Phase 2.3 checking zip directory: 604 28/28-13C/ test 0: Phase 2.3 checking zip directory: 2 28/28-13C/28-13C.zip|21/ test 0: Phase 2.3 checking zip directory: 10 28/28-13C/28-13C.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 11 28/28-13C/28-13C.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 28/28-1H/28-1H.zip|20/ test 0: Phase 2.3 checking zip directory: 9 28/28-1H/28-1H.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 10 28/28-1H/28-1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 625 33/ test 0: Phase 2.3 checking zip directory: 628 33/33-acetone-d6/ test 0: Phase 2.3 checking zip directory: 629 33/33-CDCl3/ test 0: Phase 2.3 checking zip directory: 631 33/33-x-ray/ test 0: Phase 2.3 checking zip directory: 632 33/33-IR/ test 0: Phase 2.3 checking zip directory: 636 33/33-CDCl3/33-in CDCl3 hmbc/ test 0: Phase 2.3 checking zip directory: 637 33/33-CDCl3/33-in CDCl3 13C/ test 0: Phase 2.3 checking zip directory: 639 33/33-CDCl3/33-in CDCl3 1H/ test 0: Phase 2.3 checking zip directory: 640 33/33-CDCl3/33-in CDCl3 hmqc/ test 0: Phase 2.3 checking zip directory: 641 33/33-CDCl3/33-in CDCl3 cosy/ test 0: Phase 2.3 checking zip directory: 2 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/ test 0: Phase 2.3 checking zip directory: 10 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/ test 0: Phase 2.3 checking 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Phase 2.3 checking zip directory: 662 33/33-acetone-d6/33-in acetone-d6 13C/ test 0: Phase 2.3 checking zip directory: 663 33/33-acetone-d6/33-in acetone-d6 hmbc/ test 0: Phase 2.3 checking zip directory: 664 33/33-acetone-d6/33-in acetone-d6 1H/ test 0: Phase 2.3 checking zip directory: 666 33/33-acetone-d6/33-in acetone-d6 hmqc/ test 0: Phase 2.3 checking zip directory: 2 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/ test 0: Phase 2.3 checking zip directory: 8 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/ test 0: Phase 2.3 checking zip directory: 9 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/ test 0: Phase 2.3 checking zip directory: 9 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/ test 0: Phase 2.3 checking zip directory: 10 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/ test 0: Phase 2.3 checking zip directory: 10 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/ test 0: Phase 2.3 checking zip directory: 11 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/1/ test 0: Phase 2.3 checking zip directory: 683 34/ test 0: Phase 2.3 checking zip directory: 685 34/34-IR/ test 0: Phase 2.3 checking zip directory: 689 34/34-X-Ray/ test 0: Phase 2.3 checking zip directory: 690 34/34-NMR-acetone-d6/ test 0: Phase 2.3 checking zip directory: 691 34/34-NMR-CDCl3/ test 0: Phase 2.3 checking zip directory: 692 34/34-NMR-CDCl3/34-in CDCl3 hmbc/ test 0: Phase 2.3 checking zip directory: 693 34/34-NMR-CDCl3/34-in CDCl3 13C/ test 0: Phase 2.3 checking zip directory: 695 34/34-NMR-CDCl3/34-in CDCl3 hsqc/ test 0: Phase 2.3 checking zip directory: 696 34/34-NMR-CDCl3/34-in CDCl3 1H/ test 0: Phase 2.3 checking zip directory: 697 34/34-NMR-CDCl3/34-in CDCl3 cosy/ test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/ test 0: Phase 2.3 checking zip directory: 10 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/pdata/ test 0: Phase 2.3 checking zip directory: 11 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/ test 0: Phase 2.3 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/pdata/ test 0: Phase 2.3 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/ test 0: Phase 2.3 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/pdata/ test 0: Phase 2.3 checking zip directory: 10 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/ test 0: Phase 2.3 checking zip directory: 10 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/ test 0: Phase 2.3 checking zip directory: 11 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/1/ test 0: Phase 2.3 checking zip directory: 719 34/34-NMR-acetone-d6/34-in acetone-d6 13C/ test 0: Phase 2.3 checking zip directory: 720 34/34-NMR-acetone-d6/34-in acetone-d6 1H/ test 0: Phase 2.3 checking zip directory: 721 34/34-NMR-acetone-d6/34-in acetone-d6 hmbc/ test 0: Phase 2.3 checking zip directory: 722 34/34-NMR-acetone-d6/34-in acetone-d6 hsqc/ test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/ test 0: Phase 2.3 checking zip directory: 8 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/ test 0: Phase 2.3 checking zip directory: 9 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/ test 0: Phase 2.3 checking zip directory: 10 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/ test 0: Phase 2.3 checking zip directory: 11 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/1/ test 0: Phase 2.3 checking zip directory: 741 37/ test 0: Phase 2.3 checking zip directory: 745 37/37-13C/ test 0: Phase 2.3 checking zip directory: 746 37/37-cosy/ test 0: Phase 2.3 checking zip directory: 747 37/37-X-ray/ test 0: Phase 2.3 checking zip directory: 749 37/37-hmbc/ test 0: Phase 2.3 checking zip directory: 750 37/37-IR/ test 0: Phase 2.3 checking zip directory: 752 37/37-hsqc/ test 0: Phase 2.3 checking zip directory: 753 37/37-1H/ test 0: Phase 2.3 checking zip directory: 2 37/37-1H/37-1H.zip|50/ test 0: Phase 2.3 checking zip directory: 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38/38-13C/ test 0: Phase 2.3 checking zip directory: 2 38/38-13C/38-13C.zip|43/ test 0: Phase 2.3 checking zip directory: 9 38/38-13C/38-13C.zip|43/pdata/ test 0: Phase 2.3 checking zip directory: 10 38/38-13C/38-13C.zip|43/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 38/38-1H/38-1H.zip|40/ test 0: Phase 2.3 checking zip directory: 8 38/38-1H/38-1H.zip|40/pdata/ test 0: Phase 2.3 checking zip directory: 9 38/38-1H/38-1H.zip|40/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 38/38-cosy/38-cosy.zip|41/ test 0: Phase 2.3 checking zip directory: 9 38/38-cosy/38-cosy.zip|41/pdata/ test 0: Phase 2.3 checking zip directory: 10 38/38-cosy/38-cosy.zip|41/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 38/38-hmbc/38-hmbc.zip|44/ test 0: Phase 2.3 checking zip directory: 9 38/38-hmbc/38-hmbc.zip|44/pdata/ test 0: Phase 2.3 checking zip directory: 10 38/38-hmbc/38-hmbc.zip|44/pdata/1/ test 0: Phase 2.3 checking zip directory: 811 39/ test 0: Phase 2.3 checking zip directory: 815 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40/40-hmbc/40-hmbc.zip|24/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 40/40-cosy/40-cosy.zip|21/ test 0: Phase 2.3 checking zip directory: 9 40/40-cosy/40-cosy.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 10 40/40-cosy/40-cosy.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 40/40-13C/40-13C.zip|23/ test 0: Phase 2.3 checking zip directory: 10 40/40-13C/40-13C.zip|23/pdata/ test 0: Phase 2.3 checking zip directory: 11 40/40-13C/40-13C.zip|23/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 40/40-1H/40-1H.zip|20/ test 0: Phase 2.3 checking zip directory: 8 40/40-1H/40-1H.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 9 40/40-1H/40-1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 883 42/ test 0: Phase 2.3 checking zip directory: 884 42/42-X-ray/ test 0: Phase 2.3 checking zip directory: 889 42/42-IR/ test 0: Phase 2.3 checking zip directory: 892 46/ test 0: Phase 2.3 checking zip directory: 894 46/46-X-ray/ test 0: Phase 2.3 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test 0: Phase 2.3 checking zip directory: 1092 62/62-13C/ test 0: Phase 2.3 checking zip directory: 1094 62/62-cosy/ test 0: Phase 2.3 checking zip directory: 1095 62/62-hmqc/ test 0: Phase 2.3 checking zip directory: 1096 62/62-IR/ test 0: Phase 2.3 checking zip directory: 1098 62/62-1H/ test 0: Phase 2.3 checking zip directory: 2 62/62-1H/62-1H.zip|20/ test 0: Phase 2.3 checking zip directory: 9 62/62-1H/62-1H.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 10 62/62-1H/62-1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 62/62-cosy/62-cosy.zip|21/ test 0: Phase 2.3 checking zip directory: 9 62/62-cosy/62-cosy.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 10 62/62-cosy/62-cosy.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 62/62-13C/62-13C.zip|10/ test 0: Phase 2.3 checking zip directory: 10 62/62-13C/62-13C.zip|10/pdata/ test 0: Phase 2.3 checking zip directory: 11 62/62-13C/62-13C.zip|10/pdata/1/ test 0: Phase 2.3 checking zip directory: 1121 65/ test 0: Phase 2.3 checking zip directory: 1123 65/65-IR/ test 0: Phase 2.3 checking zip directory: 1125 65/65-X-ray/ test 0: Phase 2.3 checking zip directory: 1130 66/ test 0: Phase 2.3 checking zip directory: 1131 66/66-X-ray/ test 0: Phase 2.3 checking zip directory: 1136 66/66-IR/ test 0: Phase 2.3 checking zip directory: 1139 70/ test 0: Phase 2.3 checking zip directory: 1141 70/70-IR/ test 0: Phase 2.3 checking zip directory: 1143 70/70-X-ray/ test 0: Phase 2.3 checking zip directory: 1148 73/ test 0: Phase 2.3 checking zip directory: 1151 73/73-x-ray/ test 0: Phase 2.3 checking zip directory: 1153 74/ test 0: Phase 2.3 checking zip directory: 1155 74/74-x-ray/ test 0: Phase 2.3 checking zip directory: 1158 75/ test 0: Phase 2.3 checking zip directory: 1159 75/75-x-ray/ test 0: Phase 2.3 checking zip directory: 1161 76/ test 0: Phase 2.3 checking zip directory: 1163 76/76-x-ray/ test 0: Phase 2.3 checking zip directory: 1 5/ test 0: Phase 2.3 checking zip directory: 2 5/5-13C in dmso-d6/ test 0: Phase 2.3 checking zip directory: 4 5/5-1H in dmso-d6/ test 0: Phase 2.3 checking zip directory: 6 5/5-X-ray/ test 0: Phase 2.3 checking zip directory: 8 5/5-13C in CD3OD/ test 0: Phase 2.3 checking zip directory: 9 5/5-IR/ test 0: Phase 2.3 checking zip directory: 12 5/5-1H in CD3OD/ test 0: Phase 2.3 checking zip directory: 2 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/ test 0: Phase 2.3 checking zip directory: 8 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 9 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/ test 0: Phase 2.3 checking zip directory: 9 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/ test 0: Phase 2.3 checking zip directory: 10 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/ test 0: Phase 2.3 checking zip directory: 9 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/ test 0: Phase 2.3 checking zip directory: 10 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/ test 0: Phase 2.3 checking zip directory: 10 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 11 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 31 6/ test 0: Phase 2.3 checking zip directory: 33 6/6-cosy in CDCl3/ test 0: Phase 2.3 checking zip directory: 35 6/6-13C in CD3OD/ test 0: Phase 2.3 checking zip directory: 36 6/6-IR/ test 0: Phase 2.3 checking zip directory: 39 6/6-13C in CDCl3/ test 0: Phase 2.3 checking zip directory: 40 6/6-1H in CD3OD/ test 0: Phase 2.3 checking zip directory: 41 6/6-1H in CDCl3/ test 0: Phase 2.3 checking zip directory: 42 6/6-hmbc in CDCl3/ test 0: Phase 2.3 checking zip directory: 44 6/6-hsqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 2 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/ test 0: Phase 2.3 checking zip directory: 9 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/ test 0: Phase 2.3 checking zip directory: 10 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/ test 0: Phase 2.3 checking zip directory: 8 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 9 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/ test 0: Phase 2.3 checking zip directory: 8 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/ test 0: Phase 2.3 checking zip directory: 9 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/ test 0: Phase 2.3 checking zip directory: 10 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/ test 0: Phase 2.3 checking zip directory: 11 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/ test 0: Phase 2.3 checking zip directory: 9 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/ test 0: Phase 2.3 checking zip directory: 10 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/ test 0: Phase 2.3 checking zip directory: 9 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/ test 0: Phase 2.3 checking zip directory: 10 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/1/ test 0: Phase 2.3 checking zip directory: 74 8/ test 0: Phase 2.3 checking zip directory: 75 8/8-IR/ test 0: Phase 2.3 checking zip directory: 78 8/8-1H in CDCl3/ test 0: Phase 2.3 checking zip directory: 80 8/8-1H in CD3OD/ test 0: Phase 2.3 checking zip directory: 81 8/8-hmqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 82 8/8-hsqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 84 8/8-hmbc in CDCl3/ test 0: Phase 2.3 checking zip directory: 86 8/8-13C in CDCl3/ test 0: Phase 2.3 checking zip directory: 87 8/8-13C in CD3OD/ test 0: Phase 2.3 checking zip directory: 2 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/ test 0: Phase 2.3 checking zip directory: 10 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 11 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/ test 0: Phase 2.3 checking zip directory: 9 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/ test 0: Phase 2.3 checking zip directory: 10 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/ test 0: Phase 2.3 checking zip directory: 9 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/ test 0: Phase 2.3 checking zip directory: 10 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/ test 0: Phase 2.3 checking zip directory: 9 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 10 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/ test 0: Phase 2.3 checking zip directory: 8 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/ test 0: Phase 2.3 checking zip directory: 9 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/1/ test 0: Phase 2.3 checking zip directory: 113 9/ test 0: Phase 2.3 checking zip directory: 114 9/9-enol-HMBC/ test 0: Phase 2.3 checking zip directory: 115 9/9-enol-13C/ test 0: Phase 2.3 checking zip directory: 116 9/9-IR/ test 0: Phase 2.3 checking zip directory: 118 9/9-enol-HSQC/ test 0: Phase 2.3 checking zip directory: 119 9/9-keto-13C/ test 0: Phase 2.3 checking zip directory: 120 9/9-enol-1H/ test 0: Phase 2.3 checking zip directory: 124 9/9-enol-HMQC/ test 0: Phase 2.3 checking zip directory: 126 9/9-enol-cosy/ test 0: Phase 2.3 checking zip directory: 127 9/9-enolHMBC/ test 0: Phase 2.3 checking zip directory: 129 9/9-keto-1H/ test 0: Phase 2.3 checking zip directory: 2 9/9-keto-1H/9-keto form 1H.zip|20/ test 0: Phase 2.3 checking zip directory: 9 9/9-keto-1H/9-keto form 1H.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 10 9/9-keto-1H/9-keto form 1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 9/9-enol-cosy/9-enol form cosy.zip|11/ test 0: Phase 2.3 checking zip directory: 10 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/ test 0: Phase 2.3 checking zip directory: 11 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 9/9-enol-1H/9-enol form 1H.zip|10/ test 0: Phase 2.3 checking zip directory: 9 9/9-enol-1H/9-enol form 1H.zip|10/pdata/ test 0: Phase 2.3 checking zip directory: 10 9/9-enol-1H/9-enol form 1H.zip|10/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 9/9-keto-13C/9-keto form 13C.zip|21/ test 0: Phase 2.3 checking zip directory: 10 9/9-keto-13C/9-keto form 13C.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 11 9/9-keto-13C/9-keto form 13C.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 9/9-enol-13C/9-enol form 13C.zip|13/ test 0: Phase 2.3 checking zip directory: 10 9/9-enol-13C/9-enol form 13C.zip|13/pdata/ test 0: Phase 2.3 checking zip directory: 11 9/9-enol-13C/9-enol form 13C.zip|13/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 9/9-enol-HMBC/9-enol form hmbc.zip|14/ test 0: Phase 2.3 checking zip directory: 10 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/ test 0: Phase 2.3 checking zip directory: 11 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/1/ test 0: Phase 2.3 checking zip directory: 159 10/ test 0: Phase 2.3 checking zip directory: 160 10/10-cosy in CDCl3/ test 0: Phase 2.3 checking zip directory: 162 10/10-IR/ test 0: Phase 2.3 checking zip directory: 163 10/10-1H in CD3OD/ test 0: Phase 2.3 checking zip directory: 164 10/10-1H in CDCl3/ test 0: Phase 2.3 checking zip directory: 167 10/10-13C in CDCl3/ test 0: Phase 2.3 checking zip directory: 169 10/10-13C in CD3OD/ test 0: Phase 2.3 checking zip directory: 170 10/10-hmbc in CDCl3/ test 0: Phase 2.3 checking zip directory: 172 10/10-hmqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 173 10/10-hsqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 2 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/ test 0: Phase 2.3 checking zip directory: 9 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/ test 0: Phase 2.3 checking zip directory: 10 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/ test 0: Phase 2.3 checking zip directory: 9 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/ test 0: Phase 2.3 checking zip directory: 10 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/ test 0: Phase 2.3 checking zip directory: 9 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/ test 0: Phase 2.3 checking zip directory: 10 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/ test 0: Phase 2.3 checking zip directory: 8 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 9 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/ test 0: Phase 2.3 checking zip directory: 8 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/ test 0: Phase 2.3 checking zip directory: 9 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/ test 0: Phase 2.3 checking zip directory: 10 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/ test 0: Phase 2.3 checking zip directory: 11 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/1/ test 0: Phase 2.3 checking zip directory: 203 11/ test 0: Phase 2.3 checking zip directory: 204 11/11-IR/ test 0: Phase 2.3 checking zip directory: 205 11/11-1H/ test 0: Phase 2.3 checking zip directory: 206 11/11-cosy/ test 0: Phase 2.3 checking zip directory: 209 11/11-hsqc/ test 0: Phase 2.3 checking zip directory: 210 11/11-X-ray/ test 0: Phase 2.3 checking zip directory: 213 11/11-hmbc/ test 0: Phase 2.3 checking zip directory: 215 11/11-13C/ test 0: Phase 2.3 checking zip directory: 2 11/11-13C/11-13C.zip|63/ test 0: Phase 2.3 checking zip directory: 10 11/11-13C/11-13C.zip|63/pdata/ test 0: Phase 2.3 checking zip directory: 11 11/11-13C/11-13C.zip|63/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 11/11-hmbc/11-hmbc.zip|64/ test 0: Phase 2.3 checking zip directory: 9 11/11-hmbc/11-hmbc.zip|64/pdata/ test 0: Phase 2.3 checking zip directory: 10 11/11-hmbc/11-hmbc.zip|64/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 11/11-1H/11-1H.zip|60/ test 0: Phase 2.3 checking zip directory: 9 11/11-1H/11-1H.zip|60/pdata/ test 0: Phase 2.3 checking zip directory: 10 11/11-1H/11-1H.zip|60/pdata/1/ test 0: Phase 2.3 checking zip directory: 238 12/ test 0: Phase 2.3 checking zip directory: 239 12/12-hmbc/ test 0: Phase 2.3 checking zip directory: 240 12/12-hsqc/ test 0: Phase 2.3 checking zip directory: 244 12/12-1H/ test 0: Phase 2.3 checking zip directory: 245 12/12-X-ray/ test 0: Phase 2.3 checking zip directory: 246 12/12-cosy/ test 0: Phase 2.3 checking zip directory: 247 12/12-13C/ test 0: Phase 2.3 checking zip directory: 248 12/12-IR/ test 0: Phase 2.3 checking zip directory: 2 12/12-13C/12-13C.zip|73/ test 0: Phase 2.3 checking zip directory: 9 12/12-13C/12-13C.zip|73/pdata/ test 0: Phase 2.3 checking zip directory: 10 12/12-13C/12-13C.zip|73/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 12/12-1H/12-1H.zip|70/ test 0: Phase 2.3 checking zip directory: 8 12/12-1H/12-1H.zip|70/pdata/ test 0: Phase 2.3 checking zip directory: 9 12/12-1H/12-1H.zip|70/pdata/1/ test 0: Phase 2.3 checking zip directory: 273 14/ test 0: Phase 2.3 checking zip directory: 274 14/14-1H/ test 0: Phase 2.3 checking zip directory: 275 14/14-IR/ test 0: Phase 2.3 checking zip directory: 276 14/14-hsqc/ test 0: Phase 2.3 checking zip directory: 278 14/14-hmbc/ test 0: Phase 2.3 checking zip directory: 279 14/14-cosy/ test 0: Phase 2.3 checking zip directory: 282 14/14-13C/ test 0: Phase 2.3 checking zip directory: 285 14/14-X-ray/ test 0: Phase 2.3 checking zip directory: 2 14/14-13C/14-13C.zip|93/ test 0: Phase 2.3 checking zip directory: 9 14/14-13C/14-13C.zip|93/pdata/ test 0: Phase 2.3 checking zip directory: 10 14/14-13C/14-13C.zip|93/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 14/14-1H/14-1H.zip|90/ test 0: Phase 2.3 checking zip directory: 8 14/14-1H/14-1H.zip|90/pdata/ test 0: Phase 2.3 checking zip directory: 9 14/14-1H/14-1H.zip|90/pdata/1/ test 0: Phase 2.3 checking zip directory: 308 15/ test 0: Phase 2.3 checking zip directory: 309 15/15-IR/ test 0: Phase 2.3 checking zip directory: 310 15/15-1H/ test 0: Phase 2.3 checking zip directory: 313 15/15-X-ray/ test 0: Phase 2.3 checking zip directory: 314 15/15-solvate-X-ray/ test 0: Phase 2.3 checking zip directory: 316 15/15-13C/ test 0: Phase 2.3 checking zip directory: 2 15/15-13C/15b-13C.zip|32/ test 0: Phase 2.3 checking zip directory: 10 15/15-13C/15b-13C.zip|32/pdata/ test 0: Phase 2.3 checking zip directory: 11 15/15-13C/15b-13C.zip|32/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/ test 0: Phase 2.3 checking zip directory: 9 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/ test 0: Phase 2.3 checking zip directory: 10 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/ test 0: Phase 2.3 checking zip directory: 9 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/ test 0: Phase 2.3 checking zip directory: 10 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/1/ test 0: Phase 2.3 checking zip directory: 334 16/ test 0: Phase 2.3 checking zip directory: 337 16/16-hmbc/ test 0: Phase 2.3 checking zip directory: 340 16/16-1H/ test 0: Phase 2.3 checking zip directory: 341 16/16-13C/ test 0: Phase 2.3 checking zip directory: 342 16/16-X-ray/ test 0: Phase 2.3 checking zip directory: 344 16/16-IR/ test 0: Phase 2.3 checking zip directory: 345 16/16-hsqc/ test 0: Phase 2.3 checking zip directory: 2 16/16-13C/16-13C.zip|51/ test 0: Phase 2.3 checking zip directory: 10 16/16-13C/16-13C.zip|51/pdata/ test 0: Phase 2.3 checking zip directory: 11 16/16-13C/16-13C.zip|51/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 16/16-1H/16-1H.zip|50/ test 0: Phase 2.3 checking zip directory: 8 16/16-1H/16-1H.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 9 16/16-1H/16-1H.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 364 17/ test 0: Phase 2.3 checking zip directory: 367 17/17-cosy/ test 0: Phase 2.3 checking zip directory: 369 17/17-hmbc/ test 0: Phase 2.3 checking zip directory: 370 17/17-X-ray/ test 0: Phase 2.3 checking zip directory: 371 17/17-hsqc/ test 0: Phase 2.3 checking zip directory: 372 17/17-IR/ test 0: Phase 2.3 checking zip directory: 374 17/17-13C/ test 0: Phase 2.3 checking zip directory: 375 17/17-1H/ test 0: Phase 2.3 checking zip directory: 2 17/17-1H/17-1H.zip|50/ test 0: Phase 2.3 checking zip directory: 9 17/17-1H/17-1H.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 10 17/17-1H/17-1H.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 17/17-13C/17-13C.zip|1/ test 0: Phase 2.3 checking zip directory: 11 17/17-13C/17-13C.zip|1/pdata/ test 0: Phase 2.3 checking zip directory: 12 17/17-13C/17-13C.zip|1/pdata/1/ test 0: Phase 2.3 checking zip directory: 399 18/ test 0: Phase 2.3 checking zip directory: 400 18/18-X-ray/ test 0: Phase 2.3 checking zip directory: 401 18/18-hsqc/ test 0: Phase 2.3 checking zip directory: 403 18/18-13C/ test 0: Phase 2.3 checking zip directory: 405 18/18-hmbc/ test 0: Phase 2.3 checking zip directory: 407 18/18-1H/ test 0: Phase 2.3 checking zip directory: 408 18/18-IR/ test 0: Phase 2.3 checking zip directory: 2 18/18-1H/18-1H.zip|70/ test 0: Phase 2.3 checking zip directory: 8 18/18-1H/18-1H.zip|70/pdata/ test 0: Phase 2.3 checking zip directory: 9 18/18-1H/18-1H.zip|70/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 18/18-13C/18-13C.zip|71/ test 0: Phase 2.3 checking zip directory: 10 18/18-13C/18-13C.zip|71/pdata/ test 0: Phase 2.3 checking zip directory: 11 18/18-13C/18-13C.zip|71/pdata/1/ test 0: Phase 2.3 checking zip directory: 429 19/ test 0: Phase 2.3 checking zip directory: 431 19/19-hsqc/ test 0: Phase 2.3 checking zip directory: 434 19/19-13C/ test 0: Phase 2.3 checking zip directory: 436 19/19-X-ray/ test 0: Phase 2.3 checking zip directory: 437 19/19-hmbc/ test 0: Phase 2.3 checking zip directory: 438 19/19-IR/ test 0: Phase 2.3 checking zip directory: 439 19/19-1H/ test 0: Phase 2.3 checking zip directory: 2 19/19-1H/19-1H.zip|20/ test 0: Phase 2.3 checking zip directory: 8 19/19-1H/19-1H.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 9 19/19-1H/19-1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 19/19-13C/19-13C.zip|21/ test 0: Phase 2.3 checking zip directory: 9 19/19-13C/19-13C.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 10 19/19-13C/19-13C.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 459 20/ test 0: Phase 2.3 checking zip directory: 460 20/20-1H/ test 0: Phase 2.3 checking zip directory: 461 20/20-13C/ test 0: Phase 2.3 checking zip directory: 463 20/20-IR/ test 0: Phase 2.3 checking zip directory: 465 20/20-X-ray/ test 0: Phase 2.3 checking zip directory: 467 20/20-hmbc/ test 0: Phase 2.3 checking zip directory: 468 20/20-hsqc/ test 0: Phase 2.3 checking zip directory: 2 20/20-13C/20-13C.zip|31/ test 0: Phase 2.3 checking zip directory: 9 20/20-13C/20-13C.zip|31/pdata/ test 0: Phase 2.3 checking zip directory: 10 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28/28-1H/28-1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 625 33/ test 0: Phase 2.3 checking zip directory: 628 33/33-acetone-d6/ test 0: Phase 2.3 checking zip directory: 629 33/33-CDCl3/ test 0: Phase 2.3 checking zip directory: 631 33/33-x-ray/ test 0: Phase 2.3 checking zip directory: 632 33/33-IR/ test 0: Phase 2.3 checking zip directory: 636 33/33-CDCl3/33-in CDCl3 hmbc/ test 0: Phase 2.3 checking zip directory: 637 33/33-CDCl3/33-in CDCl3 13C/ test 0: Phase 2.3 checking zip directory: 639 33/33-CDCl3/33-in CDCl3 1H/ test 0: Phase 2.3 checking zip directory: 640 33/33-CDCl3/33-in CDCl3 hmqc/ test 0: Phase 2.3 checking zip directory: 641 33/33-CDCl3/33-in CDCl3 cosy/ test 0: Phase 2.3 checking zip directory: 2 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/ test 0: Phase 2.3 checking zip directory: 10 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/ test 0: Phase 2.3 checking zip directory: 11 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/ test 0: Phase 2.3 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/ test 0: Phase 2.3 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/ test 0: Phase 2.3 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/ test 0: Phase 2.3 checking zip directory: 10 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/ test 0: Phase 2.3 checking zip directory: 10 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/ test 0: Phase 2.3 checking zip directory: 11 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/1/ test 0: Phase 2.3 checking zip directory: 662 33/33-acetone-d6/33-in acetone-d6 13C/ test 0: Phase 2.3 checking zip directory: 663 33/33-acetone-d6/33-in acetone-d6 hmbc/ test 0: Phase 2.3 checking zip directory: 664 33/33-acetone-d6/33-in acetone-d6 1H/ test 0: Phase 2.3 checking zip directory: 666 33/33-acetone-d6/33-in acetone-d6 hmqc/ test 0: Phase 2.3 checking zip directory: 2 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/ test 0: Phase 2.3 checking zip directory: 8 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/ test 0: Phase 2.3 checking zip directory: 9 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/ test 0: Phase 2.3 checking zip directory: 9 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/ test 0: Phase 2.3 checking zip directory: 10 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/1/ test 0: Phase 2.3 checking 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34/34-NMR-CDCl3/34-in CDCl3 cosy/ test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/ test 0: Phase 2.3 checking zip directory: 10 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/pdata/ test 0: Phase 2.3 checking zip directory: 11 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/ test 0: Phase 2.3 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/pdata/ test 0: Phase 2.3 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/ test 0: Phase 2.3 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/pdata/ test 0: Phase 2.3 checking zip directory: 10 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/pdata/1/ test 0: Phase 2.3 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1H.zip|120/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/ test 0: Phase 2.3 checking zip directory: 10 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/ test 0: Phase 2.3 checking zip directory: 11 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/1/ test 0: Phase 2.3 checking zip directory: 741 37/ test 0: Phase 2.3 checking zip directory: 745 37/37-13C/ test 0: Phase 2.3 checking zip directory: 746 37/37-cosy/ test 0: Phase 2.3 checking zip directory: 747 37/37-X-ray/ test 0: Phase 2.3 checking zip directory: 749 37/37-hmbc/ test 0: Phase 2.3 checking zip directory: 750 37/37-IR/ test 0: Phase 2.3 checking zip directory: 752 37/37-hsqc/ test 0: Phase 2.3 checking zip directory: 753 37/37-1H/ test 0: Phase 2.3 checking zip directory: 2 37/37-1H/37-1H.zip|50/ test 0: Phase 2.3 checking zip directory: 8 37/37-1H/37-1H.zip|50/pdata/ test 0: Phase 2.3 checking 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54/54-IR/ test 0: Phase 2.3 checking zip directory: 985 54/54-X-ray/ test 0: Phase 2.3 checking zip directory: 990 55/ test 0: Phase 2.3 checking zip directory: 991 55/55-IR/ test 0: Phase 2.3 checking zip directory: 995 55/55-X-ray/ test 0: Phase 2.3 checking zip directory: 999 56/ test 0: Phase 2.3 checking zip directory: 1002 56/56-X-ray/ test 0: Phase 2.3 checking zip directory: 1004 56/56-IR/ test 0: Phase 2.3 checking zip directory: 1006 56/56-comp/ test 0: Phase 2.3 checking zip directory: 1007 56/56-comp/10292/ test 0: Phase 2.3 checking zip directory: 1008 56/56-comp/10323/ test 0: Phase 2.3 checking zip directory: 1009 56/56-comp/10311/ test 0: Phase 2.3 checking zip directory: 1024 57/ test 0: Phase 2.3 checking zip directory: 1029 57/57-x-ray/ test 0: Phase 2.3 checking zip directory: 1030 57/57-IR/ test 0: Phase 2.3 checking zip directory: 1033 58/ test 0: Phase 2.3 checking zip directory: 1037 58/58-X-ray/ test 0: Phase 2.3 checking zip directory: 1038 58/58-IR/ test 0: Phase 2.3 checking zip directory: 1042 60/ test 0: Phase 2.3 checking zip directory: 1043 60/60-X-ray/ test 0: Phase 2.3 checking zip directory: 1044 60/60-IR/ test 0: Phase 2.3 checking zip directory: 1051 61/ test 0: Phase 2.3 checking zip directory: 1052 61/61-1H/ test 0: Phase 2.3 checking zip directory: 1055 61/61-IR/ test 0: Phase 2.3 checking zip directory: 1056 61/61-cosy/ test 0: Phase 2.3 checking zip directory: 1057 61/61-X-Ray/ test 0: Phase 2.3 checking zip directory: 1058 61/61-hmqc/ test 0: Phase 2.3 checking zip directory: 1060 61/61-hmbc/ test 0: Phase 2.3 checking zip directory: 1061 61/61-13C/ test 0: Phase 2.3 checking zip directory: 2 61/61-13C/61-13C.zip|23/ test 0: Phase 2.3 checking zip directory: 9 61/61-13C/61-13C.zip|23/pdata/ test 0: Phase 2.3 checking zip directory: 10 61/61-13C/61-13C.zip|23/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 61/61-hmbc/61-hmbc.zip|25/ test 0: Phase 2.3 checking zip directory: 10 61/61-hmbc/61-hmbc.zip|25/pdata/ test 0: Phase 2.3 checking zip directory: 11 61/61-hmbc/61-hmbc.zip|25/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 61/61-hmqc/61-hmqc.zip|24/ test 0: Phase 2.3 checking zip directory: 11 61/61-hmqc/61-hmqc.zip|24/pdata/ test 0: Phase 2.3 checking zip directory: 12 61/61-hmqc/61-hmqc.zip|24/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 61/61-cosy/61-cosy.zip|22/ test 0: Phase 2.3 checking zip directory: 10 61/61-cosy/61-cosy.zip|22/pdata/ test 0: Phase 2.3 checking zip directory: 11 61/61-cosy/61-cosy.zip|22/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 61/61-1H/61-1H.zip|20/ test 0: Phase 2.3 checking zip directory: 9 61/61-1H/61-1H.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 10 61/61-1H/61-1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 1086 62/ test 0: Phase 2.3 checking zip directory: 1089 62/62-X-Ray/ test 0: Phase 2.3 checking zip directory: 1091 62/62-hmbc/ test 0: Phase 2.3 checking zip directory: 1092 62/62-13C/ test 0: Phase 2.3 checking zip directory: 1094 62/62-cosy/ test 0: Phase 2.3 checking zip directory: 1095 62/62-hmqc/ test 0: Phase 2.3 checking zip directory: 1096 62/62-IR/ test 0: Phase 2.3 checking zip directory: 1098 62/62-1H/ test 0: Phase 2.3 checking zip directory: 2 62/62-1H/62-1H.zip|20/ test 0: Phase 2.3 checking zip directory: 9 62/62-1H/62-1H.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 10 62/62-1H/62-1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 62/62-cosy/62-cosy.zip|21/ test 0: Phase 2.3 checking zip directory: 9 62/62-cosy/62-cosy.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 10 62/62-cosy/62-cosy.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 62/62-13C/62-13C.zip|10/ test 0: Phase 2.3 checking zip directory: 10 62/62-13C/62-13C.zip|10/pdata/ test 0: Phase 2.3 checking zip directory: 11 62/62-13C/62-13C.zip|10/pdata/1/ test 0: Phase 2.3 checking zip directory: 1121 65/ test 0: Phase 2.3 checking zip directory: 1123 65/65-IR/ test 0: Phase 2.3 checking zip directory: 1125 65/65-X-ray/ test 0: Phase 2.3 checking zip directory: 1130 66/ test 0: Phase 2.3 checking zip directory: 1131 66/66-X-ray/ test 0: Phase 2.3 checking zip directory: 1136 66/66-IR/ test 0: Phase 2.3 checking zip directory: 1139 70/ test 0: Phase 2.3 checking zip directory: 1141 70/70-IR/ test 0: Phase 2.3 checking zip directory: 1143 70/70-X-ray/ test 0: Phase 2.3 checking zip directory: 1148 73/ test 0: Phase 2.3 checking zip directory: 1151 73/73-x-ray/ test 0: Phase 2.3 checking zip directory: 1153 74/ test 0: Phase 2.3 checking zip directory: 1155 74/74-x-ray/ test 0: Phase 2.3 checking zip directory: 1158 75/ test 0: Phase 2.3 checking zip directory: 1159 75/75-x-ray/ test 0: Phase 2.3 checking zip directory: 1161 76/ test 0: Phase 2.3 checking zip directory: 1163 76/76-x-ray/ test 0: Phase 2.3 checking zip directory: 1 5/ test 0: Phase 2.3 checking zip directory: 2 5/5-13C in dmso-d6/ test 0: Phase 2.3 checking zip directory: 4 5/5-1H in dmso-d6/ test 0: Phase 2.3 checking zip directory: 6 5/5-X-ray/ test 0: Phase 2.3 checking zip directory: 8 5/5-13C in CD3OD/ test 0: Phase 2.3 checking zip directory: 9 5/5-IR/ test 0: Phase 2.3 checking zip directory: 12 5/5-1H in CD3OD/ test 0: Phase 2.3 checking zip directory: 2 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/ test 0: Phase 2.3 checking zip directory: 8 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 9 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/ test 0: Phase 2.3 checking zip directory: 9 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/ test 0: Phase 2.3 checking zip directory: 10 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/ test 0: Phase 2.3 checking zip directory: 9 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/ test 0: Phase 2.3 checking zip directory: 10 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/ test 0: Phase 2.3 checking zip directory: 10 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 11 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 31 6/ test 0: Phase 2.3 checking zip directory: 33 6/6-cosy in CDCl3/ test 0: Phase 2.3 checking zip directory: 35 6/6-13C in CD3OD/ test 0: Phase 2.3 checking zip directory: 36 6/6-IR/ test 0: Phase 2.3 checking zip directory: 39 6/6-13C in CDCl3/ test 0: Phase 2.3 checking zip directory: 40 6/6-1H in CD3OD/ test 0: Phase 2.3 checking zip directory: 41 6/6-1H in CDCl3/ test 0: Phase 2.3 checking zip directory: 42 6/6-hmbc in CDCl3/ test 0: Phase 2.3 checking zip directory: 44 6/6-hsqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 2 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/ test 0: Phase 2.3 checking zip directory: 9 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/ test 0: Phase 2.3 checking zip directory: 10 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/ test 0: Phase 2.3 checking zip directory: 8 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 9 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/ test 0: Phase 2.3 checking zip directory: 8 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/ test 0: Phase 2.3 checking zip directory: 9 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/ test 0: Phase 2.3 checking zip directory: 10 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/ test 0: Phase 2.3 checking zip directory: 11 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/ test 0: Phase 2.3 checking zip directory: 9 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/ test 0: Phase 2.3 checking zip directory: 10 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/ test 0: Phase 2.3 checking zip directory: 9 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/ test 0: Phase 2.3 checking zip directory: 10 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/1/ test 0: Phase 2.3 checking zip directory: 74 8/ test 0: Phase 2.3 checking zip directory: 75 8/8-IR/ test 0: Phase 2.3 checking zip directory: 78 8/8-1H in CDCl3/ test 0: Phase 2.3 checking zip directory: 80 8/8-1H in CD3OD/ test 0: Phase 2.3 checking zip directory: 81 8/8-hmqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 82 8/8-hsqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 84 8/8-hmbc in CDCl3/ test 0: Phase 2.3 checking zip directory: 86 8/8-13C in CDCl3/ test 0: Phase 2.3 checking zip directory: 87 8/8-13C in CD3OD/ test 0: Phase 2.3 checking zip directory: 2 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/ test 0: Phase 2.3 checking zip directory: 10 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 11 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/ test 0: Phase 2.3 checking zip directory: 9 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/ test 0: Phase 2.3 checking zip directory: 10 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/ test 0: Phase 2.3 checking zip directory: 9 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/ test 0: Phase 2.3 checking zip directory: 10 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/ test 0: Phase 2.3 checking zip directory: 9 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 10 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/ test 0: Phase 2.3 checking zip directory: 8 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/ test 0: Phase 2.3 checking zip directory: 9 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/1/ test 0: Phase 2.3 checking zip directory: 113 9/ test 0: Phase 2.3 checking zip directory: 114 9/9-enol-HMBC/ test 0: Phase 2.3 checking zip directory: 115 9/9-enol-13C/ test 0: Phase 2.3 checking zip directory: 116 9/9-IR/ test 0: Phase 2.3 checking zip directory: 118 9/9-enol-HSQC/ test 0: Phase 2.3 checking zip directory: 119 9/9-keto-13C/ test 0: Phase 2.3 checking zip directory: 120 9/9-enol-1H/ test 0: Phase 2.3 checking zip directory: 124 9/9-enol-HMQC/ test 0: Phase 2.3 checking zip directory: 126 9/9-enol-cosy/ test 0: Phase 2.3 checking zip directory: 127 9/9-enolHMBC/ test 0: Phase 2.3 checking zip directory: 129 9/9-keto-1H/ test 0: Phase 2.3 checking zip directory: 2 9/9-keto-1H/9-keto form 1H.zip|20/ test 0: Phase 2.3 checking zip directory: 9 9/9-keto-1H/9-keto form 1H.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 10 9/9-keto-1H/9-keto form 1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 9/9-enol-cosy/9-enol form cosy.zip|11/ test 0: Phase 2.3 checking zip directory: 10 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/ test 0: Phase 2.3 checking zip directory: 11 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 9/9-enol-1H/9-enol form 1H.zip|10/ test 0: Phase 2.3 checking zip directory: 9 9/9-enol-1H/9-enol form 1H.zip|10/pdata/ test 0: Phase 2.3 checking zip directory: 10 9/9-enol-1H/9-enol form 1H.zip|10/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 9/9-keto-13C/9-keto form 13C.zip|21/ test 0: Phase 2.3 checking zip directory: 10 9/9-keto-13C/9-keto form 13C.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 11 9/9-keto-13C/9-keto form 13C.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 9/9-enol-13C/9-enol form 13C.zip|13/ test 0: Phase 2.3 checking zip directory: 10 9/9-enol-13C/9-enol form 13C.zip|13/pdata/ test 0: Phase 2.3 checking zip directory: 11 9/9-enol-13C/9-enol form 13C.zip|13/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 9/9-enol-HMBC/9-enol form hmbc.zip|14/ test 0: Phase 2.3 checking zip directory: 10 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/ test 0: Phase 2.3 checking zip directory: 11 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/1/ test 0: Phase 2.3 checking zip directory: 159 10/ test 0: Phase 2.3 checking zip directory: 160 10/10-cosy in CDCl3/ test 0: Phase 2.3 checking zip directory: 162 10/10-IR/ test 0: Phase 2.3 checking zip directory: 163 10/10-1H in CD3OD/ test 0: Phase 2.3 checking zip directory: 164 10/10-1H in CDCl3/ test 0: Phase 2.3 checking zip directory: 167 10/10-13C in CDCl3/ test 0: Phase 2.3 checking zip directory: 169 10/10-13C in CD3OD/ test 0: Phase 2.3 checking zip directory: 170 10/10-hmbc in CDCl3/ test 0: Phase 2.3 checking zip directory: 172 10/10-hmqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 173 10/10-hsqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 2 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/ test 0: Phase 2.3 checking zip directory: 9 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/ test 0: Phase 2.3 checking zip directory: 10 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/ test 0: Phase 2.3 checking zip directory: 9 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/ test 0: Phase 2.3 checking zip directory: 10 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/ test 0: Phase 2.3 checking zip directory: 9 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/ test 0: Phase 2.3 checking zip directory: 10 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/ test 0: Phase 2.3 checking zip directory: 8 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 9 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/ test 0: Phase 2.3 checking zip directory: 8 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/ test 0: Phase 2.3 checking zip directory: 9 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/ test 0: Phase 2.3 checking zip directory: 10 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/ test 0: Phase 2.3 checking zip directory: 11 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/1/ test 0: Phase 2.3 checking zip directory: 203 11/ test 0: Phase 2.3 checking zip directory: 204 11/11-IR/ test 0: Phase 2.3 checking zip directory: 205 11/11-1H/ test 0: Phase 2.3 checking zip directory: 206 11/11-cosy/ test 0: Phase 2.3 checking zip directory: 209 11/11-hsqc/ test 0: Phase 2.3 checking zip directory: 210 11/11-X-ray/ test 0: Phase 2.3 checking zip directory: 213 11/11-hmbc/ test 0: Phase 2.3 checking zip directory: 215 11/11-13C/ test 0: Phase 2.3 checking zip directory: 2 11/11-13C/11-13C.zip|63/ test 0: Phase 2.3 checking zip directory: 10 11/11-13C/11-13C.zip|63/pdata/ test 0: Phase 2.3 checking zip directory: 11 11/11-13C/11-13C.zip|63/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 11/11-hmbc/11-hmbc.zip|64/ test 0: Phase 2.3 checking zip directory: 9 11/11-hmbc/11-hmbc.zip|64/pdata/ test 0: Phase 2.3 checking zip directory: 10 11/11-hmbc/11-hmbc.zip|64/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 11/11-1H/11-1H.zip|60/ test 0: Phase 2.3 checking zip directory: 9 11/11-1H/11-1H.zip|60/pdata/ test 0: Phase 2.3 checking zip directory: 10 11/11-1H/11-1H.zip|60/pdata/1/ test 0: Phase 2.3 checking zip directory: 238 12/ test 0: Phase 2.3 checking zip directory: 239 12/12-hmbc/ test 0: Phase 2.3 checking zip directory: 240 12/12-hsqc/ test 0: Phase 2.3 checking zip directory: 244 12/12-1H/ test 0: Phase 2.3 checking zip directory: 245 12/12-X-ray/ test 0: Phase 2.3 checking zip directory: 246 12/12-cosy/ test 0: Phase 2.3 checking zip directory: 247 12/12-13C/ test 0: Phase 2.3 checking zip directory: 248 12/12-IR/ test 0: Phase 2.3 checking zip directory: 2 12/12-13C/12-13C.zip|73/ test 0: Phase 2.3 checking zip directory: 9 12/12-13C/12-13C.zip|73/pdata/ test 0: Phase 2.3 checking zip directory: 10 12/12-13C/12-13C.zip|73/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 12/12-1H/12-1H.zip|70/ test 0: Phase 2.3 checking zip directory: 8 12/12-1H/12-1H.zip|70/pdata/ test 0: Phase 2.3 checking zip directory: 9 12/12-1H/12-1H.zip|70/pdata/1/ test 0: Phase 2.3 checking zip directory: 273 14/ test 0: Phase 2.3 checking zip directory: 274 14/14-1H/ test 0: Phase 2.3 checking zip 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Phase 2.3 checking zip directory: 629 33/33-CDCl3/ test 0: Phase 2.3 checking zip directory: 631 33/33-x-ray/ test 0: Phase 2.3 checking zip directory: 632 33/33-IR/ test 0: Phase 2.3 checking zip directory: 636 33/33-CDCl3/33-in CDCl3 hmbc/ test 0: Phase 2.3 checking zip directory: 637 33/33-CDCl3/33-in CDCl3 13C/ test 0: Phase 2.3 checking zip directory: 639 33/33-CDCl3/33-in CDCl3 1H/ test 0: Phase 2.3 checking zip directory: 640 33/33-CDCl3/33-in CDCl3 hmqc/ test 0: Phase 2.3 checking zip directory: 641 33/33-CDCl3/33-in CDCl3 cosy/ test 0: Phase 2.3 checking zip directory: 2 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/ test 0: Phase 2.3 checking zip directory: 10 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/ test 0: Phase 2.3 checking zip directory: 11 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/ test 0: Phase 2.3 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/ test 0: Phase 2.3 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/ test 0: Phase 2.3 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/ test 0: Phase 2.3 checking zip directory: 10 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/ test 0: Phase 2.3 checking zip directory: 10 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/ test 0: Phase 2.3 checking zip directory: 11 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/1/ test 0: Phase 2.3 checking zip directory: 662 33/33-acetone-d6/33-in acetone-d6 13C/ test 0: Phase 2.3 checking zip directory: 663 33/33-acetone-d6/33-in acetone-d6 hmbc/ test 0: Phase 2.3 checking zip directory: 664 33/33-acetone-d6/33-in acetone-d6 1H/ test 0: Phase 2.3 checking zip directory: 666 33/33-acetone-d6/33-in acetone-d6 hmqc/ test 0: Phase 2.3 checking zip directory: 2 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/ test 0: Phase 2.3 checking zip directory: 8 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/ test 0: Phase 2.3 checking zip directory: 9 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/ test 0: Phase 2.3 checking zip directory: 9 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/ test 0: Phase 2.3 checking zip directory: 10 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/ test 0: Phase 2.3 checking zip directory: 10 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/ test 0: Phase 2.3 checking zip directory: 11 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/1/ test 0: Phase 2.3 checking zip directory: 683 34/ test 0: Phase 2.3 checking zip directory: 685 34/34-IR/ test 0: Phase 2.3 checking zip directory: 689 34/34-X-Ray/ test 0: Phase 2.3 checking zip directory: 690 34/34-NMR-acetone-d6/ test 0: Phase 2.3 checking zip directory: 691 34/34-NMR-CDCl3/ test 0: Phase 2.3 checking zip directory: 692 34/34-NMR-CDCl3/34-in CDCl3 hmbc/ test 0: Phase 2.3 checking zip directory: 693 34/34-NMR-CDCl3/34-in CDCl3 13C/ test 0: Phase 2.3 checking zip directory: 695 34/34-NMR-CDCl3/34-in CDCl3 hsqc/ test 0: Phase 2.3 checking zip directory: 696 34/34-NMR-CDCl3/34-in CDCl3 1H/ test 0: Phase 2.3 checking zip directory: 697 34/34-NMR-CDCl3/34-in CDCl3 cosy/ test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/ test 0: Phase 2.3 checking zip directory: 10 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/pdata/ test 0: Phase 2.3 checking zip directory: 11 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/ test 0: Phase 2.3 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/pdata/ test 0: Phase 2.3 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/ test 0: Phase 2.3 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/pdata/ test 0: Phase 2.3 checking zip directory: 10 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/ test 0: Phase 2.3 checking zip directory: 10 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/ test 0: Phase 2.3 checking zip directory: 11 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/1/ test 0: Phase 2.3 checking zip directory: 719 34/34-NMR-acetone-d6/34-in acetone-d6 13C/ test 0: Phase 2.3 checking zip directory: 720 34/34-NMR-acetone-d6/34-in acetone-d6 1H/ test 0: Phase 2.3 checking zip directory: 721 34/34-NMR-acetone-d6/34-in acetone-d6 hmbc/ test 0: Phase 2.3 checking zip directory: 722 34/34-NMR-acetone-d6/34-in acetone-d6 hsqc/ test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/ test 0: Phase 2.3 checking zip directory: 8 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/ test 0: Phase 2.3 checking zip directory: 9 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/ test 0: Phase 2.3 checking zip directory: 10 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/ test 0: Phase 2.3 checking zip directory: 11 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/1/ test 0: Phase 2.3 checking zip directory: 741 37/ test 0: Phase 2.3 checking zip directory: 745 37/37-13C/ test 0: Phase 2.3 checking zip directory: 746 37/37-cosy/ test 0: Phase 2.3 checking zip directory: 747 37/37-X-ray/ test 0: Phase 2.3 checking zip directory: 749 37/37-hmbc/ test 0: Phase 2.3 checking zip directory: 750 37/37-IR/ test 0: Phase 2.3 checking zip directory: 752 37/37-hsqc/ test 0: Phase 2.3 checking zip directory: 753 37/37-1H/ test 0: Phase 2.3 checking zip directory: 2 37/37-1H/37-1H.zip|50/ test 0: Phase 2.3 checking zip directory: 8 37/37-1H/37-1H.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 9 37/37-1H/37-1H.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 37/37-cosy/37-cosy.zip|21/ test 0: Phase 2.3 checking zip directory: 10 37/37-cosy/37-cosy.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 11 37/37-cosy/37-cosy.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 37/37-13C/37-3C.zip|23/ test 0: Phase 2.3 checking zip directory: 10 37/37-13C/37-3C.zip|23/pdata/ test 0: Phase 2.3 checking zip directory: 11 37/37-13C/37-3C.zip|23/pdata/1/ test 0: Phase 2.3 checking zip directory: 776 38/ test 0: Phase 2.3 checking zip directory: 777 38/38-X-ray/ test 0: Phase 2.3 checking zip directory: 779 38/38-hmbc/ test 0: Phase 2.3 checking zip directory: 782 38/38-hmqc/ test 0: Phase 2.3 checking zip directory: 783 38/38-cosy/ test 0: Phase 2.3 checking zip directory: 784 38/38-1H/ test 0: Phase 2.3 checking zip directory: 786 38/38-IR/ test 0: Phase 2.3 checking zip directory: 788 38/38-13C/ test 0: Phase 2.3 checking zip directory: 2 38/38-13C/38-13C.zip|43/ test 0: Phase 2.3 checking zip directory: 9 38/38-13C/38-13C.zip|43/pdata/ test 0: Phase 2.3 checking zip directory: 10 38/38-13C/38-13C.zip|43/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 38/38-1H/38-1H.zip|40/ test 0: Phase 2.3 checking zip directory: 8 38/38-1H/38-1H.zip|40/pdata/ test 0: Phase 2.3 checking zip directory: 9 38/38-1H/38-1H.zip|40/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 38/38-cosy/38-cosy.zip|41/ test 0: Phase 2.3 checking zip directory: 9 38/38-cosy/38-cosy.zip|41/pdata/ test 0: Phase 2.3 checking zip directory: 10 38/38-cosy/38-cosy.zip|41/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 38/38-hmbc/38-hmbc.zip|44/ test 0: Phase 2.3 checking zip directory: 9 38/38-hmbc/38-hmbc.zip|44/pdata/ test 0: Phase 2.3 checking zip directory: 10 38/38-hmbc/38-hmbc.zip|44/pdata/1/ test 0: Phase 2.3 checking zip directory: 811 39/ test 0: Phase 2.3 checking zip directory: 815 39/39-X-ray/ test 0: Phase 2.3 checking zip directory: 817 39/39-hmbc/ test 0: Phase 2.3 checking zip directory: 818 39/39b-X-ray/ test 0: Phase 2.3 checking zip directory: 819 39/39-IR/ test 0: Phase 2.3 checking zip directory: 820 39/39-1H/ test 0: Phase 2.3 checking zip directory: 821 39/39-cosy/ test 0: Phase 2.3 checking zip directory: 822 39/39-hmqc/ test 0: Phase 2.3 checking zip directory: 824 39/39-13C/ test 0: Phase 2.3 checking zip directory: 2 39/39-13C/39-13C.zip|43/ test 0: Phase 2.3 checking zip directory: 10 39/39-13C/39-13C.zip|43/pdata/ test 0: Phase 2.3 checking zip directory: 11 39/39-13C/39-13C.zip|43/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 39/39-cosy/39-cosy.zip|41/ test 0: Phase 2.3 checking zip directory: 9 39/39-cosy/39-cosy.zip|41/pdata/ test 0: Phase 2.3 checking zip directory: 10 39/39-cosy/39-cosy.zip|41/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 39/39-1H/39-1H.zip|40/ test 0: Phase 2.3 checking zip directory: 9 39/39-1H/39-1H.zip|40/pdata/ test 0: Phase 2.3 checking zip directory: 10 39/39-1H/39-1H.zip|40/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 39/39-hmbc/39-hmbc.zip|44/ test 0: Phase 2.3 checking zip directory: 9 39/39-hmbc/39-hmbc.zip|44/pdata/ test 0: Phase 2.3 checking zip directory: 10 39/39-hmbc/39-hmbc.zip|44/pdata/1/ test 0: Phase 2.3 checking zip directory: 848 40/ test 0: Phase 2.3 checking zip directory: 849 40/40-IR/ test 0: Phase 2.3 checking zip directory: 850 40/40-1H/ test 0: Phase 2.3 checking zip directory: 851 40/40-X-ray/ test 0: Phase 2.3 checking zip directory: 854 40/40-13C/ test 0: Phase 2.3 checking zip directory: 856 40/40-cosy/ test 0: Phase 2.3 checking zip directory: 857 40/40-hmqc/ test 0: Phase 2.3 checking zip directory: 859 40/40-hmbc/ test 0: Phase 2.3 checking zip directory: 2 40/40-hmbc/40-hmbc.zip|24/ test 0: Phase 2.3 checking zip directory: 9 40/40-hmbc/40-hmbc.zip|24/pdata/ test 0: Phase 2.3 checking zip directory: 10 40/40-hmbc/40-hmbc.zip|24/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 40/40-cosy/40-cosy.zip|21/ test 0: Phase 2.3 checking zip directory: 9 40/40-cosy/40-cosy.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 10 40/40-cosy/40-cosy.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 40/40-13C/40-13C.zip|23/ test 0: Phase 2.3 checking zip directory: 10 40/40-13C/40-13C.zip|23/pdata/ test 0: Phase 2.3 checking zip directory: 11 40/40-13C/40-13C.zip|23/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 40/40-1H/40-1H.zip|20/ test 0: Phase 2.3 checking zip directory: 8 40/40-1H/40-1H.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 9 40/40-1H/40-1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 883 42/ test 0: Phase 2.3 checking zip directory: 884 42/42-X-ray/ test 0: Phase 2.3 checking zip directory: 889 42/42-IR/ test 0: Phase 2.3 checking zip directory: 892 46/ test 0: Phase 2.3 checking zip directory: 894 46/46-X-ray/ test 0: Phase 2.3 checking zip directory: 897 46/46-IR/ test 0: Phase 2.3 checking zip directory: 901 49/ test 0: Phase 2.3 checking zip directory: 902 49/49-hmbc/ test 0: Phase 2.3 checking zip directory: 905 49/49-hsqc/ test 0: Phase 2.3 checking zip directory: 907 49/49-1H/ test 0: Phase 2.3 checking zip directory: 908 49/49-13C/ test 0: Phase 2.3 checking zip directory: 909 49/49-IR/ test 0: Phase 2.3 checking zip directory: 911 49/49-X-ray/ test 0: Phase 2.3 checking zip directory: 912 49/49-cosy/ test 0: Phase 2.3 checking zip directory: 2 49/49-13C/49-13C.zip|23/ test 0: Phase 2.3 checking zip directory: 9 49/49-13C/49-13C.zip|23/pdata/ test 0: Phase 2.3 checking zip directory: 10 49/49-13C/49-13C.zip|23/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 49/49-1H/49-1H.zip|20/ test 0: Phase 2.3 checking zip directory: 8 49/49-1H/49-1H.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 9 49/49-1H/49-1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 937 50/ test 0: Phase 2.3 checking zip directory: 938 50/50-IR/ test 0: Phase 2.3 checking zip directory: 939 50/50-1H/ test 0: Phase 2.3 checking zip directory: 940 50/50-cosy/ test 0: Phase 2.3 checking zip directory: 941 50/50-13C/ test 0: Phase 2.3 checking zip directory: 944 50/50-hsqc/ test 0: Phase 2.3 checking zip directory: 945 50/50-X-ray/ test 0: Phase 2.3 checking zip directory: 946 50/50-hmbc/ test 0: Phase 2.3 checking zip directory: 2 50/50-13C/50-13C.zip|63/ test 0: Phase 2.3 checking zip directory: 9 50/50-13C/50-13C.zip|63/pdata/ test 0: Phase 2.3 checking zip directory: 10 50/50-13C/50-13C.zip|63/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 50/50-1H/50-1H.zip|60/ test 0: Phase 2.3 checking zip directory: 8 50/50-1H/50-1H.zip|60/pdata/ test 0: Phase 2.3 checking zip directory: 9 50/50-1H/50-1H.zip|60/pdata/1/ test 0: Phase 2.3 checking zip directory: 972 53/ test 0: Phase 2.3 checking zip directory: 976 53/53-IR/ test 0: Phase 2.3 checking zip directory: 977 53/53-X-ray/ test 0: Phase 2.3 checking zip directory: 981 54/ test 0: Phase 2.3 checking zip directory: 983 54/54-IR/ test 0: Phase 2.3 checking zip directory: 985 54/54-X-ray/ test 0: Phase 2.3 checking zip directory: 990 55/ test 0: Phase 2.3 checking zip directory: 991 55/55-IR/ test 0: Phase 2.3 checking zip directory: 995 55/55-X-ray/ test 0: Phase 2.3 checking zip directory: 999 56/ test 0: Phase 2.3 checking zip directory: 1002 56/56-X-ray/ test 0: Phase 2.3 checking zip directory: 1004 56/56-IR/ test 0: Phase 2.3 checking zip directory: 1006 56/56-comp/ test 0: Phase 2.3 checking zip directory: 1007 56/56-comp/10292/ test 0: Phase 2.3 checking zip directory: 1008 56/56-comp/10323/ test 0: Phase 2.3 checking zip directory: 1009 56/56-comp/10311/ test 0: Phase 2.3 checking zip directory: 1024 57/ test 0: Phase 2.3 checking zip directory: 1029 57/57-x-ray/ test 0: Phase 2.3 checking zip directory: 1030 57/57-IR/ test 0: Phase 2.3 checking zip directory: 1033 58/ test 0: Phase 2.3 checking zip directory: 1037 58/58-X-ray/ test 0: Phase 2.3 checking zip directory: 1038 58/58-IR/ test 0: Phase 2.3 checking zip directory: 1042 60/ test 0: Phase 2.3 checking zip directory: 1043 60/60-X-ray/ test 0: Phase 2.3 checking zip directory: 1044 60/60-IR/ test 0: Phase 2.3 checking zip directory: 1051 61/ test 0: Phase 2.3 checking zip directory: 1052 61/61-1H/ test 0: Phase 2.3 checking zip directory: 1055 61/61-IR/ test 0: Phase 2.3 checking zip directory: 1056 61/61-cosy/ test 0: Phase 2.3 checking zip directory: 1057 61/61-X-Ray/ test 0: Phase 2.3 checking zip directory: 1058 61/61-hmqc/ test 0: Phase 2.3 checking zip directory: 1060 61/61-hmbc/ test 0: Phase 2.3 checking zip directory: 1061 61/61-13C/ test 0: Phase 2.3 checking zip directory: 2 61/61-13C/61-13C.zip|23/ test 0: Phase 2.3 checking zip directory: 9 61/61-13C/61-13C.zip|23/pdata/ test 0: Phase 2.3 checking zip directory: 10 61/61-13C/61-13C.zip|23/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 61/61-hmbc/61-hmbc.zip|25/ test 0: Phase 2.3 checking zip directory: 10 61/61-hmbc/61-hmbc.zip|25/pdata/ test 0: Phase 2.3 checking zip directory: 11 61/61-hmbc/61-hmbc.zip|25/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 61/61-hmqc/61-hmqc.zip|24/ test 0: Phase 2.3 checking zip directory: 11 61/61-hmqc/61-hmqc.zip|24/pdata/ test 0: Phase 2.3 checking zip directory: 12 61/61-hmqc/61-hmqc.zip|24/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 61/61-cosy/61-cosy.zip|22/ test 0: Phase 2.3 checking zip directory: 10 61/61-cosy/61-cosy.zip|22/pdata/ test 0: Phase 2.3 checking zip directory: 11 61/61-cosy/61-cosy.zip|22/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 61/61-1H/61-1H.zip|20/ test 0: Phase 2.3 checking zip directory: 9 61/61-1H/61-1H.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 10 61/61-1H/61-1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 1086 62/ test 0: Phase 2.3 checking zip directory: 1089 62/62-X-Ray/ test 0: Phase 2.3 checking zip directory: 1091 62/62-hmbc/ test 0: Phase 2.3 checking zip directory: 1092 62/62-13C/ test 0: Phase 2.3 checking zip directory: 1094 62/62-cosy/ test 0: Phase 2.3 checking zip directory: 1095 62/62-hmqc/ test 0: Phase 2.3 checking zip directory: 1096 62/62-IR/ test 0: Phase 2.3 checking zip directory: 1098 62/62-1H/ test 0: Phase 2.3 checking zip directory: 2 62/62-1H/62-1H.zip|20/ test 0: Phase 2.3 checking zip directory: 9 62/62-1H/62-1H.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 10 62/62-1H/62-1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 62/62-cosy/62-cosy.zip|21/ test 0: Phase 2.3 checking zip directory: 9 62/62-cosy/62-cosy.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 10 62/62-cosy/62-cosy.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 62/62-13C/62-13C.zip|10/ test 0: Phase 2.3 checking zip directory: 10 62/62-13C/62-13C.zip|10/pdata/ test 0: Phase 2.3 checking zip directory: 11 62/62-13C/62-13C.zip|10/pdata/1/ test 0: Phase 2.3 checking zip directory: 1121 65/ test 0: Phase 2.3 checking zip directory: 1123 65/65-IR/ test 0: Phase 2.3 checking zip directory: 1125 65/65-X-ray/ test 0: Phase 2.3 checking zip directory: 1130 66/ test 0: Phase 2.3 checking zip directory: 1131 66/66-X-ray/ test 0: Phase 2.3 checking zip directory: 1136 66/66-IR/ test 0: Phase 2.3 checking zip directory: 1139 70/ test 0: Phase 2.3 checking zip directory: 1141 70/70-IR/ test 0: Phase 2.3 checking zip directory: 1143 70/70-X-ray/ test 0: Phase 2.3 checking zip directory: 1148 73/ test 0: Phase 2.3 checking zip directory: 1151 73/73-x-ray/ test 0: Phase 2.3 checking zip directory: 1153 74/ test 0: Phase 2.3 checking zip directory: 1155 74/74-x-ray/ test 0: Phase 2.3 checking zip directory: 1158 75/ test 0: Phase 2.3 checking zip directory: 1159 75/75-x-ray/ test 0: Phase 2.3 checking zip directory: 1161 76/ test 0: Phase 2.3 checking zip directory: 1163 76/76-x-ray/ test 0: Phase 2.3 checking zip directory: 1 5/ test 0: Phase 2.3 checking zip directory: 2 5/5-13C in dmso-d6/ test 0: Phase 2.3 checking zip directory: 4 5/5-1H in dmso-d6/ test 0: Phase 2.3 checking zip directory: 6 5/5-X-ray/ test 0: Phase 2.3 checking zip directory: 8 5/5-13C in CD3OD/ test 0: Phase 2.3 checking zip directory: 9 5/5-IR/ test 0: Phase 2.3 checking zip directory: 12 5/5-1H in CD3OD/ test 0: Phase 2.3 checking zip directory: 2 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/ test 0: Phase 2.3 checking zip directory: 8 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 9 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/ test 0: Phase 2.3 checking zip directory: 9 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/ test 0: Phase 2.3 checking zip directory: 10 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/ test 0: Phase 2.3 checking zip directory: 9 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/ test 0: Phase 2.3 checking zip directory: 10 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/ test 0: Phase 2.3 checking zip directory: 10 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 11 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 31 6/ test 0: Phase 2.3 checking zip directory: 33 6/6-cosy in CDCl3/ test 0: Phase 2.3 checking zip directory: 35 6/6-13C in CD3OD/ test 0: Phase 2.3 checking zip directory: 36 6/6-IR/ test 0: Phase 2.3 checking zip directory: 39 6/6-13C in CDCl3/ test 0: Phase 2.3 checking zip directory: 40 6/6-1H in CD3OD/ test 0: Phase 2.3 checking zip directory: 41 6/6-1H in CDCl3/ test 0: Phase 2.3 checking zip directory: 42 6/6-hmbc in CDCl3/ test 0: Phase 2.3 checking zip directory: 44 6/6-hsqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 2 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/ test 0: Phase 2.3 checking zip directory: 9 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/ test 0: Phase 2.3 checking zip directory: 10 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/ test 0: Phase 2.3 checking zip directory: 8 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 9 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/ test 0: Phase 2.3 checking zip directory: 8 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/ test 0: Phase 2.3 checking zip directory: 9 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/ test 0: Phase 2.3 checking zip directory: 10 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/ test 0: Phase 2.3 checking zip directory: 11 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/ test 0: Phase 2.3 checking zip directory: 9 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/ test 0: Phase 2.3 checking zip directory: 10 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/ test 0: Phase 2.3 checking zip directory: 9 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/ test 0: Phase 2.3 checking zip directory: 10 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/1/ test 0: Phase 2.3 checking zip directory: 74 8/ test 0: Phase 2.3 checking zip directory: 75 8/8-IR/ test 0: Phase 2.3 checking zip directory: 78 8/8-1H in CDCl3/ test 0: Phase 2.3 checking zip directory: 80 8/8-1H in CD3OD/ test 0: Phase 2.3 checking zip directory: 81 8/8-hmqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 82 8/8-hsqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 84 8/8-hmbc in CDCl3/ test 0: Phase 2.3 checking zip directory: 86 8/8-13C in CDCl3/ test 0: Phase 2.3 checking zip directory: 87 8/8-13C in CD3OD/ test 0: Phase 2.3 checking zip directory: 2 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/ test 0: Phase 2.3 checking zip directory: 10 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 11 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/ test 0: Phase 2.3 checking zip directory: 9 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/ test 0: Phase 2.3 checking zip directory: 10 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/ test 0: Phase 2.3 checking zip directory: 9 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/ test 0: Phase 2.3 checking zip directory: 10 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/ test 0: Phase 2.3 checking zip directory: 9 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 10 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/ test 0: Phase 2.3 checking zip directory: 8 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/ test 0: Phase 2.3 checking zip directory: 9 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/1/ test 0: Phase 2.3 checking zip directory: 113 9/ test 0: Phase 2.3 checking zip directory: 114 9/9-enol-HMBC/ test 0: Phase 2.3 checking zip directory: 115 9/9-enol-13C/ test 0: Phase 2.3 checking zip directory: 116 9/9-IR/ test 0: Phase 2.3 checking zip directory: 118 9/9-enol-HSQC/ test 0: Phase 2.3 checking zip directory: 119 9/9-keto-13C/ test 0: Phase 2.3 checking zip directory: 120 9/9-enol-1H/ test 0: Phase 2.3 checking zip directory: 124 9/9-enol-HMQC/ test 0: Phase 2.3 checking zip directory: 126 9/9-enol-cosy/ test 0: Phase 2.3 checking zip directory: 127 9/9-enolHMBC/ test 0: Phase 2.3 checking zip directory: 129 9/9-keto-1H/ test 0: Phase 2.3 checking zip directory: 2 9/9-keto-1H/9-keto form 1H.zip|20/ test 0: Phase 2.3 checking zip directory: 9 9/9-keto-1H/9-keto form 1H.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 10 9/9-keto-1H/9-keto form 1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 9/9-enol-cosy/9-enol form cosy.zip|11/ test 0: Phase 2.3 checking zip directory: 10 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/ test 0: Phase 2.3 checking zip directory: 11 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 9/9-enol-1H/9-enol form 1H.zip|10/ test 0: Phase 2.3 checking zip directory: 9 9/9-enol-1H/9-enol form 1H.zip|10/pdata/ test 0: Phase 2.3 checking zip directory: 10 9/9-enol-1H/9-enol form 1H.zip|10/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 9/9-keto-13C/9-keto form 13C.zip|21/ test 0: Phase 2.3 checking zip directory: 10 9/9-keto-13C/9-keto form 13C.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 11 9/9-keto-13C/9-keto form 13C.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 9/9-enol-13C/9-enol form 13C.zip|13/ test 0: Phase 2.3 checking zip directory: 10 9/9-enol-13C/9-enol form 13C.zip|13/pdata/ test 0: Phase 2.3 checking zip directory: 11 9/9-enol-13C/9-enol form 13C.zip|13/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 9/9-enol-HMBC/9-enol form hmbc.zip|14/ test 0: Phase 2.3 checking zip directory: 10 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/ test 0: Phase 2.3 checking zip directory: 11 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/1/ test 0: Phase 2.3 checking zip directory: 159 10/ test 0: Phase 2.3 checking zip directory: 160 10/10-cosy in CDCl3/ test 0: Phase 2.3 checking zip directory: 162 10/10-IR/ test 0: Phase 2.3 checking zip directory: 163 10/10-1H in CD3OD/ test 0: Phase 2.3 checking zip directory: 164 10/10-1H in CDCl3/ test 0: Phase 2.3 checking zip directory: 167 10/10-13C in CDCl3/ test 0: Phase 2.3 checking zip directory: 169 10/10-13C in CD3OD/ test 0: Phase 2.3 checking zip directory: 170 10/10-hmbc in CDCl3/ test 0: Phase 2.3 checking zip directory: 172 10/10-hmqc in CDCl3/ test 0: Phase 2.3 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directory: 8 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 9 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/ test 0: Phase 2.3 checking zip directory: 8 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/ test 0: Phase 2.3 checking zip directory: 9 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/ test 0: Phase 2.3 checking zip directory: 10 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/ test 0: Phase 2.3 checking zip directory: 11 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/1/ test 0: Phase 2.3 checking zip directory: 203 11/ test 0: Phase 2.3 checking zip directory: 204 11/11-IR/ test 0: Phase 2.3 checking zip directory: 205 11/11-1H/ test 0: Phase 2.3 checking zip directory: 206 11/11-cosy/ test 0: Phase 2.3 checking zip directory: 209 11/11-hsqc/ test 0: Phase 2.3 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15/15-13C/15b-13C.zip|32/ test 0: Phase 2.3 checking zip directory: 10 15/15-13C/15b-13C.zip|32/pdata/ test 0: Phase 2.3 checking zip directory: 11 15/15-13C/15b-13C.zip|32/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/ test 0: Phase 2.3 checking zip directory: 9 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/ test 0: Phase 2.3 checking zip directory: 10 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/ test 0: Phase 2.3 checking zip directory: 9 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/ test 0: Phase 2.3 checking zip directory: 10 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/1/ test 0: Phase 2.3 checking zip directory: 334 16/ test 0: Phase 2.3 checking zip directory: 337 16/16-hmbc/ test 0: Phase 2.3 checking zip directory: 340 16/16-1H/ test 0: Phase 2.3 checking zip directory: 341 16/16-13C/ test 0: Phase 2.3 checking zip 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18/18-1H/18-1H.zip|70/pdata/ test 0: Phase 2.3 checking zip directory: 9 18/18-1H/18-1H.zip|70/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 18/18-13C/18-13C.zip|71/ test 0: Phase 2.3 checking zip directory: 10 18/18-13C/18-13C.zip|71/pdata/ test 0: Phase 2.3 checking zip directory: 11 18/18-13C/18-13C.zip|71/pdata/1/ test 0: Phase 2.3 checking zip directory: 429 19/ test 0: Phase 2.3 checking zip directory: 431 19/19-hsqc/ test 0: Phase 2.3 checking zip directory: 434 19/19-13C/ test 0: Phase 2.3 checking zip directory: 436 19/19-X-ray/ test 0: Phase 2.3 checking zip directory: 437 19/19-hmbc/ test 0: Phase 2.3 checking zip directory: 438 19/19-IR/ test 0: Phase 2.3 checking zip directory: 439 19/19-1H/ test 0: Phase 2.3 checking zip directory: 2 19/19-1H/19-1H.zip|20/ test 0: Phase 2.3 checking zip directory: 8 19/19-1H/19-1H.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 9 19/19-1H/19-1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 19/19-13C/19-13C.zip|21/ test 0: Phase 2.3 checking zip directory: 9 19/19-13C/19-13C.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 10 19/19-13C/19-13C.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 459 20/ test 0: Phase 2.3 checking zip directory: 460 20/20-1H/ test 0: Phase 2.3 checking zip directory: 461 20/20-13C/ test 0: Phase 2.3 checking zip directory: 463 20/20-IR/ test 0: Phase 2.3 checking zip directory: 465 20/20-X-ray/ test 0: Phase 2.3 checking zip directory: 467 20/20-hmbc/ test 0: Phase 2.3 checking zip directory: 468 20/20-hsqc/ test 0: Phase 2.3 checking zip directory: 2 20/20-13C/20-13C.zip|31/ test 0: Phase 2.3 checking zip directory: 9 20/20-13C/20-13C.zip|31/pdata/ test 0: Phase 2.3 checking zip directory: 10 20/20-13C/20-13C.zip|31/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 20/20-1H/20-1H.zip|30/ test 0: Phase 2.3 checking zip directory: 8 20/20-1H/20-1H.zip|30/pdata/ test 0: Phase 2.3 checking zip directory: 9 20/20-1H/20-1H.zip|30/pdata/1/ test 0: Phase 2.3 checking zip directory: 489 21/ test 0: Phase 2.3 checking zip directory: 490 21/21-13C/ test 0: Phase 2.3 checking zip directory: 492 21/21-IR/ test 0: Phase 2.3 checking zip directory: 493 21/21-X-ray/ test 0: Phase 2.3 checking zip directory: 494 21/21-1H/ test 0: Phase 2.3 checking zip directory: 495 21/21-cosy/ test 0: Phase 2.3 checking zip directory: 500 21/21-hmbc/ test 0: Phase 2.3 checking zip directory: 501 21/21-hsqc/ test 0: Phase 2.3 checking zip directory: 2 21/21-1H/21-1H.zip|60/ test 0: Phase 2.3 checking zip directory: 8 21/21-1H/21-1H.zip|60/pdata/ test 0: Phase 2.3 checking zip directory: 9 21/21-1H/21-1H.zip|60/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 21/21-13C/21-13C.zip|1/ test 0: Phase 2.3 checking zip directory: 9 21/21-13C/21-13C.zip|1/pdata/ test 0: Phase 2.3 checking zip directory: 10 21/21-13C/21-13C.zip|1/pdata/1/ test 0: Phase 2.3 checking zip directory: 525 24/ test 0: Phase 2.3 checking zip directory: 527 24/24-hmbc/ test 0: Phase 2.3 checking zip directory: 528 24/24-1H/ test 0: Phase 2.3 checking zip directory: 530 24/24-13C/ test 0: Phase 2.3 checking zip directory: 531 24/24-IR/ test 0: Phase 2.3 checking zip directory: 532 24/24-X-ray/ test 0: Phase 2.3 checking zip directory: 533 24/24-hsqc/ test 0: Phase 2.3 checking zip directory: 537 24/24-cosy/ test 0: Phase 2.3 checking zip directory: 2 24/24-13C/24-13C.zip|44/ test 0: Phase 2.3 checking zip directory: 9 24/24-13C/24-13C.zip|44/pdata/ test 0: Phase 2.3 checking zip directory: 10 24/24-13C/24-13C.zip|44/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 24/24-1H/24-1H.zip|40/ test 0: Phase 2.3 checking zip directory: 8 24/24-1H/24-1H.zip|40/pdata/ test 0: Phase 2.3 checking zip directory: 9 24/24-1H/24-1H.zip|40/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 24/24-hmbc/24-hmbc.zip|43/ test 0: Phase 2.3 checking zip directory: 10 24/24-hmbc/24-hmbc.zip|43/pdata/ test 0: Phase 2.3 checking zip directory: 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checking zip directory: 596 28/28-hmbc/ test 0: Phase 2.3 checking zip directory: 598 28/28-hsqc/ test 0: Phase 2.3 checking zip directory: 599 28/28-1H/ test 0: Phase 2.3 checking zip directory: 601 28/28-X-ray/ test 0: Phase 2.3 checking zip directory: 603 28/28-IR/ test 0: Phase 2.3 checking zip directory: 604 28/28-13C/ test 0: Phase 2.3 checking zip directory: 2 28/28-13C/28-13C.zip|21/ test 0: Phase 2.3 checking zip directory: 10 28/28-13C/28-13C.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 11 28/28-13C/28-13C.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 28/28-1H/28-1H.zip|20/ test 0: Phase 2.3 checking zip directory: 9 28/28-1H/28-1H.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 10 28/28-1H/28-1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 625 33/ test 0: Phase 2.3 checking zip directory: 628 33/33-acetone-d6/ test 0: Phase 2.3 checking zip directory: 629 33/33-CDCl3/ test 0: Phase 2.3 checking zip directory: 631 33/33-x-ray/ test 0: Phase 2.3 checking zip directory: 632 33/33-IR/ test 0: Phase 2.3 checking zip directory: 636 33/33-CDCl3/33-in CDCl3 hmbc/ test 0: Phase 2.3 checking zip directory: 637 33/33-CDCl3/33-in CDCl3 13C/ test 0: Phase 2.3 checking zip directory: 639 33/33-CDCl3/33-in CDCl3 1H/ test 0: Phase 2.3 checking zip directory: 640 33/33-CDCl3/33-in CDCl3 hmqc/ test 0: Phase 2.3 checking zip directory: 641 33/33-CDCl3/33-in CDCl3 cosy/ test 0: Phase 2.3 checking zip directory: 2 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/ test 0: Phase 2.3 checking zip directory: 10 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/ test 0: Phase 2.3 checking zip directory: 11 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/ test 0: Phase 2.3 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/ test 0: Phase 2.3 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/ test 0: Phase 2.3 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/ test 0: Phase 2.3 checking zip directory: 10 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/ test 0: Phase 2.3 checking zip directory: 10 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/ test 0: Phase 2.3 checking zip directory: 11 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/1/ test 0: Phase 2.3 checking zip directory: 662 33/33-acetone-d6/33-in acetone-d6 13C/ test 0: Phase 2.3 checking zip directory: 663 33/33-acetone-d6/33-in acetone-d6 hmbc/ test 0: Phase 2.3 checking zip directory: 664 33/33-acetone-d6/33-in acetone-d6 1H/ test 0: Phase 2.3 checking zip directory: 666 33/33-acetone-d6/33-in acetone-d6 hmqc/ test 0: Phase 2.3 checking zip directory: 2 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/ test 0: Phase 2.3 checking zip directory: 8 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/ test 0: Phase 2.3 checking zip directory: 9 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/ test 0: Phase 2.3 checking zip directory: 9 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/ test 0: Phase 2.3 checking zip directory: 10 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/ test 0: Phase 2.3 checking zip directory: 10 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/ test 0: Phase 2.3 checking zip directory: 11 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/1/ test 0: Phase 2.3 checking zip directory: 683 34/ test 0: Phase 2.3 checking zip directory: 685 34/34-IR/ test 0: Phase 2.3 checking zip directory: 689 34/34-X-Ray/ test 0: Phase 2.3 checking zip directory: 690 34/34-NMR-acetone-d6/ test 0: Phase 2.3 checking zip directory: 691 34/34-NMR-CDCl3/ test 0: Phase 2.3 checking zip directory: 692 34/34-NMR-CDCl3/34-in CDCl3 hmbc/ test 0: Phase 2.3 checking zip directory: 693 34/34-NMR-CDCl3/34-in CDCl3 13C/ test 0: Phase 2.3 checking zip directory: 695 34/34-NMR-CDCl3/34-in CDCl3 hsqc/ test 0: Phase 2.3 checking zip directory: 696 34/34-NMR-CDCl3/34-in CDCl3 1H/ test 0: Phase 2.3 checking zip directory: 697 34/34-NMR-CDCl3/34-in CDCl3 cosy/ test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/ test 0: Phase 2.3 checking zip directory: 10 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/pdata/ test 0: Phase 2.3 checking zip directory: 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hmbc.zip|34/pdata/1/ test 0: Phase 2.3 checking zip directory: 719 34/34-NMR-acetone-d6/34-in acetone-d6 13C/ test 0: Phase 2.3 checking zip directory: 720 34/34-NMR-acetone-d6/34-in acetone-d6 1H/ test 0: Phase 2.3 checking zip directory: 721 34/34-NMR-acetone-d6/34-in acetone-d6 hmbc/ test 0: Phase 2.3 checking zip directory: 722 34/34-NMR-acetone-d6/34-in acetone-d6 hsqc/ test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/ test 0: Phase 2.3 checking zip directory: 8 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/ test 0: Phase 2.3 checking zip directory: 9 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/ test 0: Phase 2.3 checking zip directory: 10 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/ test 0: Phase 2.3 checking 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Phase 2.3 checking zip directory: 2 37/37-13C/37-3C.zip|23/ test 0: Phase 2.3 checking zip directory: 10 37/37-13C/37-3C.zip|23/pdata/ test 0: Phase 2.3 checking zip directory: 11 37/37-13C/37-3C.zip|23/pdata/1/ test 0: Phase 2.3 checking zip directory: 776 38/ test 0: Phase 2.3 checking zip directory: 777 38/38-X-ray/ test 0: Phase 2.3 checking zip directory: 779 38/38-hmbc/ test 0: Phase 2.3 checking zip directory: 782 38/38-hmqc/ test 0: Phase 2.3 checking zip directory: 783 38/38-cosy/ test 0: Phase 2.3 checking zip directory: 784 38/38-1H/ test 0: Phase 2.3 checking zip directory: 786 38/38-IR/ test 0: Phase 2.3 checking zip directory: 788 38/38-13C/ test 0: Phase 2.3 checking zip directory: 2 38/38-13C/38-13C.zip|43/ test 0: Phase 2.3 checking zip directory: 9 38/38-13C/38-13C.zip|43/pdata/ test 0: Phase 2.3 checking zip directory: 10 38/38-13C/38-13C.zip|43/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 38/38-1H/38-1H.zip|40/ test 0: Phase 2.3 checking zip directory: 8 38/38-1H/38-1H.zip|40/pdata/ test 0: Phase 2.3 checking zip directory: 9 38/38-1H/38-1H.zip|40/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 38/38-cosy/38-cosy.zip|41/ test 0: Phase 2.3 checking zip directory: 9 38/38-cosy/38-cosy.zip|41/pdata/ test 0: Phase 2.3 checking zip directory: 10 38/38-cosy/38-cosy.zip|41/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 38/38-hmbc/38-hmbc.zip|44/ test 0: Phase 2.3 checking zip directory: 9 38/38-hmbc/38-hmbc.zip|44/pdata/ test 0: Phase 2.3 checking zip directory: 10 38/38-hmbc/38-hmbc.zip|44/pdata/1/ test 0: Phase 2.3 checking zip directory: 811 39/ test 0: Phase 2.3 checking zip directory: 815 39/39-X-ray/ test 0: Phase 2.3 checking zip directory: 817 39/39-hmbc/ test 0: Phase 2.3 checking zip directory: 818 39/39b-X-ray/ test 0: Phase 2.3 checking zip directory: 819 39/39-IR/ test 0: Phase 2.3 checking zip directory: 820 39/39-1H/ test 0: Phase 2.3 checking zip directory: 821 39/39-cosy/ test 0: Phase 2.3 checking zip directory: 822 39/39-hmqc/ test 0: Phase 2.3 checking zip directory: 824 39/39-13C/ test 0: Phase 2.3 checking zip directory: 2 39/39-13C/39-13C.zip|43/ test 0: Phase 2.3 checking zip directory: 10 39/39-13C/39-13C.zip|43/pdata/ test 0: Phase 2.3 checking zip directory: 11 39/39-13C/39-13C.zip|43/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 39/39-cosy/39-cosy.zip|41/ test 0: Phase 2.3 checking zip directory: 9 39/39-cosy/39-cosy.zip|41/pdata/ test 0: Phase 2.3 checking zip directory: 10 39/39-cosy/39-cosy.zip|41/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 39/39-1H/39-1H.zip|40/ test 0: Phase 2.3 checking zip directory: 9 39/39-1H/39-1H.zip|40/pdata/ test 0: Phase 2.3 checking zip directory: 10 39/39-1H/39-1H.zip|40/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 39/39-hmbc/39-hmbc.zip|44/ test 0: Phase 2.3 checking zip directory: 9 39/39-hmbc/39-hmbc.zip|44/pdata/ test 0: Phase 2.3 checking zip directory: 10 39/39-hmbc/39-hmbc.zip|44/pdata/1/ test 0: Phase 2.3 checking zip 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40/40-13C/40-13C.zip|23/pdata/ test 0: Phase 2.3 checking zip directory: 11 40/40-13C/40-13C.zip|23/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 40/40-1H/40-1H.zip|20/ test 0: Phase 2.3 checking zip directory: 8 40/40-1H/40-1H.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 9 40/40-1H/40-1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 883 42/ test 0: Phase 2.3 checking zip directory: 884 42/42-X-ray/ test 0: Phase 2.3 checking zip directory: 889 42/42-IR/ test 0: Phase 2.3 checking zip directory: 892 46/ test 0: Phase 2.3 checking zip directory: 894 46/46-X-ray/ test 0: Phase 2.3 checking zip directory: 897 46/46-IR/ test 0: Phase 2.3 checking zip directory: 901 49/ test 0: Phase 2.3 checking zip directory: 902 49/49-hmbc/ test 0: Phase 2.3 checking zip directory: 905 49/49-hsqc/ test 0: Phase 2.3 checking zip directory: 907 49/49-1H/ test 0: Phase 2.3 checking zip directory: 908 49/49-13C/ test 0: Phase 2.3 checking zip directory: 909 49/49-IR/ test 0: 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test 0: Phase 2.3 checking zip directory: 2 50/50-13C/50-13C.zip|63/ test 0: Phase 2.3 checking zip directory: 9 50/50-13C/50-13C.zip|63/pdata/ test 0: Phase 2.3 checking zip directory: 10 50/50-13C/50-13C.zip|63/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 50/50-1H/50-1H.zip|60/ test 0: Phase 2.3 checking zip directory: 8 50/50-1H/50-1H.zip|60/pdata/ test 0: Phase 2.3 checking zip directory: 9 50/50-1H/50-1H.zip|60/pdata/1/ test 0: Phase 2.3 checking zip directory: 972 53/ test 0: Phase 2.3 checking zip directory: 976 53/53-IR/ test 0: Phase 2.3 checking zip directory: 977 53/53-X-ray/ test 0: Phase 2.3 checking zip directory: 981 54/ test 0: Phase 2.3 checking zip directory: 983 54/54-IR/ test 0: Phase 2.3 checking zip directory: 985 54/54-X-ray/ test 0: Phase 2.3 checking zip directory: 990 55/ test 0: Phase 2.3 checking zip directory: 991 55/55-IR/ test 0: Phase 2.3 checking zip directory: 995 55/55-X-ray/ test 0: Phase 2.3 checking zip directory: 999 56/ test 0: Phase 2.3 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directory: 1055 61/61-IR/ test 0: Phase 2.3 checking zip directory: 1056 61/61-cosy/ test 0: Phase 2.3 checking zip directory: 1057 61/61-X-Ray/ test 0: Phase 2.3 checking zip directory: 1058 61/61-hmqc/ test 0: Phase 2.3 checking zip directory: 1060 61/61-hmbc/ test 0: Phase 2.3 checking zip directory: 1061 61/61-13C/ test 0: Phase 2.3 checking zip directory: 2 61/61-13C/61-13C.zip|23/ test 0: Phase 2.3 checking zip directory: 9 61/61-13C/61-13C.zip|23/pdata/ test 0: Phase 2.3 checking zip directory: 10 61/61-13C/61-13C.zip|23/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 61/61-hmbc/61-hmbc.zip|25/ test 0: Phase 2.3 checking zip directory: 10 61/61-hmbc/61-hmbc.zip|25/pdata/ test 0: Phase 2.3 checking zip directory: 11 61/61-hmbc/61-hmbc.zip|25/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 61/61-hmqc/61-hmqc.zip|24/ test 0: Phase 2.3 checking zip directory: 11 61/61-hmqc/61-hmqc.zip|24/pdata/ test 0: Phase 2.3 checking zip directory: 12 61/61-hmqc/61-hmqc.zip|24/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 61/61-cosy/61-cosy.zip|22/ test 0: Phase 2.3 checking zip directory: 10 61/61-cosy/61-cosy.zip|22/pdata/ test 0: Phase 2.3 checking zip directory: 11 61/61-cosy/61-cosy.zip|22/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 61/61-1H/61-1H.zip|20/ test 0: Phase 2.3 checking zip directory: 9 61/61-1H/61-1H.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 10 61/61-1H/61-1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 1086 62/ test 0: Phase 2.3 checking zip directory: 1089 62/62-X-Ray/ test 0: Phase 2.3 checking zip directory: 1091 62/62-hmbc/ test 0: Phase 2.3 checking zip directory: 1092 62/62-13C/ test 0: Phase 2.3 checking zip directory: 1094 62/62-cosy/ test 0: Phase 2.3 checking zip directory: 1095 62/62-hmqc/ test 0: Phase 2.3 checking zip directory: 1096 62/62-IR/ test 0: Phase 2.3 checking zip directory: 1098 62/62-1H/ test 0: Phase 2.3 checking zip directory: 2 62/62-1H/62-1H.zip|20/ test 0: Phase 2.3 checking zip directory: 9 62/62-1H/62-1H.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 10 62/62-1H/62-1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 62/62-cosy/62-cosy.zip|21/ test 0: Phase 2.3 checking zip directory: 9 62/62-cosy/62-cosy.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 10 62/62-cosy/62-cosy.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 62/62-13C/62-13C.zip|10/ test 0: Phase 2.3 checking zip directory: 10 62/62-13C/62-13C.zip|10/pdata/ test 0: Phase 2.3 checking zip directory: 11 62/62-13C/62-13C.zip|10/pdata/1/ test 0: Phase 2.3 checking zip directory: 1121 65/ test 0: Phase 2.3 checking zip directory: 1123 65/65-IR/ test 0: Phase 2.3 checking zip directory: 1125 65/65-X-ray/ test 0: Phase 2.3 checking zip directory: 1130 66/ test 0: Phase 2.3 checking zip directory: 1131 66/66-X-ray/ test 0: Phase 2.3 checking zip directory: 1136 66/66-IR/ test 0: Phase 2.3 checking zip directory: 1139 70/ test 0: Phase 2.3 checking zip directory: 1141 70/70-IR/ test 0: Phase 2.3 checking zip directory: 1143 70/70-X-ray/ test 0: Phase 2.3 checking zip directory: 1148 73/ test 0: Phase 2.3 checking zip directory: 1151 73/73-x-ray/ test 0: Phase 2.3 checking zip directory: 1153 74/ test 0: Phase 2.3 checking zip directory: 1155 74/74-x-ray/ test 0: Phase 2.3 checking zip directory: 1158 75/ test 0: Phase 2.3 checking zip directory: 1159 75/75-x-ray/ test 0: Phase 2.3 checking zip directory: 1161 76/ test 0: Phase 2.3 checking zip directory: 1163 76/76-x-ray/ test 0: Phase 2.3 checking zip directory: 1 5/ test 0: Phase 2.3 checking zip directory: 2 5/5-13C in dmso-d6/ test 0: Phase 2.3 checking zip directory: 4 5/5-1H in dmso-d6/ test 0: Phase 2.3 checking zip directory: 6 5/5-X-ray/ test 0: Phase 2.3 checking zip directory: 8 5/5-13C in CD3OD/ test 0: Phase 2.3 checking zip directory: 9 5/5-IR/ test 0: Phase 2.3 checking zip directory: 12 5/5-1H in CD3OD/ test 0: Phase 2.3 checking zip directory: 2 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/ test 0: Phase 2.3 checking zip directory: 8 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 9 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/ test 0: Phase 2.3 checking zip directory: 9 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/ test 0: Phase 2.3 checking zip directory: 10 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/ test 0: Phase 2.3 checking zip directory: 9 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/ test 0: Phase 2.3 checking zip directory: 10 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/ test 0: Phase 2.3 checking zip directory: 10 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 11 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 31 6/ test 0: Phase 2.3 checking zip directory: 33 6/6-cosy in CDCl3/ test 0: Phase 2.3 checking zip directory: 35 6/6-13C in CD3OD/ test 0: Phase 2.3 checking zip directory: 36 6/6-IR/ test 0: Phase 2.3 checking zip directory: 39 6/6-13C in CDCl3/ test 0: Phase 2.3 checking zip directory: 40 6/6-1H in CD3OD/ test 0: Phase 2.3 checking zip directory: 41 6/6-1H in CDCl3/ test 0: Phase 2.3 checking zip directory: 42 6/6-hmbc in CDCl3/ test 0: Phase 2.3 checking zip directory: 44 6/6-hsqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 2 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/ test 0: Phase 2.3 checking zip directory: 9 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/ test 0: Phase 2.3 checking zip directory: 10 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/ test 0: Phase 2.3 checking zip directory: 8 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 9 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/ test 0: Phase 2.3 checking zip directory: 8 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/ test 0: Phase 2.3 checking zip directory: 9 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/ test 0: Phase 2.3 checking zip directory: 10 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/ test 0: Phase 2.3 checking zip directory: 11 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/ test 0: Phase 2.3 checking zip directory: 9 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/ test 0: Phase 2.3 checking zip directory: 10 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/ test 0: Phase 2.3 checking zip directory: 9 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/ test 0: Phase 2.3 checking zip directory: 10 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/1/ test 0: Phase 2.3 checking zip directory: 74 8/ test 0: Phase 2.3 checking zip directory: 75 8/8-IR/ test 0: Phase 2.3 checking zip directory: 78 8/8-1H in CDCl3/ test 0: Phase 2.3 checking zip directory: 80 8/8-1H in CD3OD/ test 0: Phase 2.3 checking zip directory: 81 8/8-hmqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 82 8/8-hsqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 84 8/8-hmbc in CDCl3/ test 0: Phase 2.3 checking zip directory: 86 8/8-13C in CDCl3/ test 0: Phase 2.3 checking zip directory: 87 8/8-13C in CD3OD/ test 0: Phase 2.3 checking zip directory: 2 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/ test 0: Phase 2.3 checking zip directory: 10 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 11 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/ test 0: Phase 2.3 checking zip directory: 9 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/ test 0: Phase 2.3 checking zip directory: 10 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/ test 0: Phase 2.3 checking zip directory: 9 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/ test 0: Phase 2.3 checking zip directory: 10 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/ test 0: Phase 2.3 checking zip directory: 9 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 10 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/ test 0: Phase 2.3 checking zip directory: 8 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/ test 0: Phase 2.3 checking zip directory: 9 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/1/ test 0: Phase 2.3 checking zip directory: 113 9/ test 0: Phase 2.3 checking zip directory: 114 9/9-enol-HMBC/ test 0: Phase 2.3 checking zip directory: 115 9/9-enol-13C/ test 0: Phase 2.3 checking zip directory: 116 9/9-IR/ test 0: Phase 2.3 checking zip directory: 118 9/9-enol-HSQC/ test 0: Phase 2.3 checking zip directory: 119 9/9-keto-13C/ test 0: Phase 2.3 checking zip directory: 120 9/9-enol-1H/ test 0: Phase 2.3 checking zip directory: 124 9/9-enol-HMQC/ test 0: Phase 2.3 checking zip directory: 126 9/9-enol-cosy/ test 0: Phase 2.3 checking zip directory: 127 9/9-enolHMBC/ test 0: Phase 2.3 checking zip directory: 129 9/9-keto-1H/ test 0: Phase 2.3 checking zip directory: 2 9/9-keto-1H/9-keto form 1H.zip|20/ test 0: Phase 2.3 checking zip directory: 9 9/9-keto-1H/9-keto form 1H.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 10 9/9-keto-1H/9-keto form 1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 9/9-enol-cosy/9-enol form cosy.zip|11/ test 0: Phase 2.3 checking zip directory: 10 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/ test 0: Phase 2.3 checking zip directory: 11 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 9/9-enol-1H/9-enol form 1H.zip|10/ test 0: Phase 2.3 checking zip directory: 9 9/9-enol-1H/9-enol form 1H.zip|10/pdata/ test 0: Phase 2.3 checking zip directory: 10 9/9-enol-1H/9-enol form 1H.zip|10/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 9/9-keto-13C/9-keto form 13C.zip|21/ test 0: Phase 2.3 checking zip directory: 10 9/9-keto-13C/9-keto form 13C.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 11 9/9-keto-13C/9-keto form 13C.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 9/9-enol-13C/9-enol form 13C.zip|13/ test 0: Phase 2.3 checking zip directory: 10 9/9-enol-13C/9-enol form 13C.zip|13/pdata/ test 0: Phase 2.3 checking zip directory: 11 9/9-enol-13C/9-enol form 13C.zip|13/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 9/9-enol-HMBC/9-enol form hmbc.zip|14/ test 0: Phase 2.3 checking zip directory: 10 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/ test 0: Phase 2.3 checking zip directory: 11 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/1/ test 0: Phase 2.3 checking zip directory: 159 10/ test 0: Phase 2.3 checking zip directory: 160 10/10-cosy in CDCl3/ test 0: Phase 2.3 checking zip directory: 162 10/10-IR/ test 0: Phase 2.3 checking zip directory: 163 10/10-1H in CD3OD/ test 0: Phase 2.3 checking zip directory: 164 10/10-1H in CDCl3/ test 0: Phase 2.3 checking zip directory: 167 10/10-13C in CDCl3/ test 0: Phase 2.3 checking zip directory: 169 10/10-13C in CD3OD/ test 0: Phase 2.3 checking zip directory: 170 10/10-hmbc in CDCl3/ test 0: Phase 2.3 checking zip directory: 172 10/10-hmqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 173 10/10-hsqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 2 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/ test 0: Phase 2.3 checking zip directory: 9 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/ test 0: Phase 2.3 checking zip directory: 10 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/ test 0: Phase 2.3 checking zip directory: 9 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/ test 0: Phase 2.3 checking zip directory: 10 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/ test 0: Phase 2.3 checking zip directory: 9 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/ test 0: Phase 2.3 checking zip directory: 10 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/ test 0: Phase 2.3 checking zip directory: 8 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 9 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/ test 0: Phase 2.3 checking zip directory: 8 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/ test 0: Phase 2.3 checking zip directory: 9 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/ test 0: Phase 2.3 checking zip directory: 10 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/ test 0: Phase 2.3 checking zip directory: 11 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/1/ test 0: Phase 2.3 checking zip directory: 203 11/ test 0: Phase 2.3 checking zip directory: 204 11/11-IR/ test 0: Phase 2.3 checking zip directory: 205 11/11-1H/ test 0: Phase 2.3 checking zip directory: 206 11/11-cosy/ test 0: Phase 2.3 checking zip directory: 209 11/11-hsqc/ test 0: Phase 2.3 checking zip directory: 210 11/11-X-ray/ test 0: Phase 2.3 checking zip directory: 213 11/11-hmbc/ test 0: Phase 2.3 checking zip directory: 215 11/11-13C/ test 0: Phase 2.3 checking zip directory: 2 11/11-13C/11-13C.zip|63/ test 0: Phase 2.3 checking zip directory: 10 11/11-13C/11-13C.zip|63/pdata/ test 0: Phase 2.3 checking zip directory: 11 11/11-13C/11-13C.zip|63/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 11/11-hmbc/11-hmbc.zip|64/ test 0: Phase 2.3 checking zip directory: 9 11/11-hmbc/11-hmbc.zip|64/pdata/ test 0: Phase 2.3 checking zip directory: 10 11/11-hmbc/11-hmbc.zip|64/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 11/11-1H/11-1H.zip|60/ test 0: Phase 2.3 checking zip directory: 9 11/11-1H/11-1H.zip|60/pdata/ test 0: Phase 2.3 checking zip directory: 10 11/11-1H/11-1H.zip|60/pdata/1/ test 0: Phase 2.3 checking zip directory: 238 12/ test 0: Phase 2.3 checking zip directory: 239 12/12-hmbc/ test 0: Phase 2.3 checking zip directory: 240 12/12-hsqc/ test 0: Phase 2.3 checking zip directory: 244 12/12-1H/ test 0: Phase 2.3 checking zip directory: 245 12/12-X-ray/ test 0: Phase 2.3 checking zip directory: 246 12/12-cosy/ test 0: Phase 2.3 checking zip directory: 247 12/12-13C/ test 0: Phase 2.3 checking zip directory: 248 12/12-IR/ test 0: Phase 2.3 checking zip directory: 2 12/12-13C/12-13C.zip|73/ test 0: Phase 2.3 checking zip directory: 9 12/12-13C/12-13C.zip|73/pdata/ test 0: Phase 2.3 checking zip directory: 10 12/12-13C/12-13C.zip|73/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 12/12-1H/12-1H.zip|70/ test 0: Phase 2.3 checking zip directory: 8 12/12-1H/12-1H.zip|70/pdata/ test 0: Phase 2.3 checking zip directory: 9 12/12-1H/12-1H.zip|70/pdata/1/ test 0: Phase 2.3 checking zip directory: 273 14/ test 0: Phase 2.3 checking zip directory: 274 14/14-1H/ test 0: Phase 2.3 checking zip directory: 275 14/14-IR/ test 0: Phase 2.3 checking zip directory: 276 14/14-hsqc/ test 0: Phase 2.3 checking zip directory: 278 14/14-hmbc/ test 0: Phase 2.3 checking zip directory: 279 14/14-cosy/ test 0: Phase 2.3 checking zip directory: 282 14/14-13C/ test 0: Phase 2.3 checking zip directory: 285 14/14-X-ray/ test 0: Phase 2.3 checking zip directory: 2 14/14-13C/14-13C.zip|93/ test 0: Phase 2.3 checking zip directory: 9 14/14-13C/14-13C.zip|93/pdata/ test 0: Phase 2.3 checking zip directory: 10 14/14-13C/14-13C.zip|93/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 14/14-1H/14-1H.zip|90/ test 0: Phase 2.3 checking zip directory: 8 14/14-1H/14-1H.zip|90/pdata/ test 0: Phase 2.3 checking zip directory: 9 14/14-1H/14-1H.zip|90/pdata/1/ test 0: Phase 2.3 checking zip directory: 308 15/ test 0: Phase 2.3 checking zip directory: 309 15/15-IR/ test 0: Phase 2.3 checking zip directory: 310 15/15-1H/ test 0: Phase 2.3 checking zip directory: 313 15/15-X-ray/ test 0: Phase 2.3 checking zip directory: 314 15/15-solvate-X-ray/ test 0: Phase 2.3 checking zip directory: 316 15/15-13C/ test 0: Phase 2.3 checking zip directory: 2 15/15-13C/15b-13C.zip|32/ test 0: Phase 2.3 checking zip directory: 10 15/15-13C/15b-13C.zip|32/pdata/ test 0: Phase 2.3 checking zip directory: 11 15/15-13C/15b-13C.zip|32/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/ test 0: Phase 2.3 checking zip directory: 9 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/ test 0: Phase 2.3 checking zip directory: 10 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/ test 0: Phase 2.3 checking zip directory: 9 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/ test 0: Phase 2.3 checking zip directory: 10 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/1/ test 0: Phase 2.3 checking zip directory: 334 16/ test 0: Phase 2.3 checking zip directory: 337 16/16-hmbc/ test 0: Phase 2.3 checking zip directory: 340 16/16-1H/ test 0: Phase 2.3 checking zip directory: 341 16/16-13C/ test 0: Phase 2.3 checking zip directory: 342 16/16-X-ray/ test 0: Phase 2.3 checking zip directory: 344 16/16-IR/ test 0: Phase 2.3 checking zip directory: 345 16/16-hsqc/ test 0: Phase 2.3 checking zip directory: 2 16/16-13C/16-13C.zip|51/ test 0: Phase 2.3 checking zip directory: 10 16/16-13C/16-13C.zip|51/pdata/ test 0: Phase 2.3 checking zip directory: 11 16/16-13C/16-13C.zip|51/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 16/16-1H/16-1H.zip|50/ test 0: Phase 2.3 checking zip directory: 8 16/16-1H/16-1H.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 9 16/16-1H/16-1H.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 364 17/ test 0: Phase 2.3 checking zip directory: 367 17/17-cosy/ test 0: Phase 2.3 checking zip directory: 369 17/17-hmbc/ test 0: Phase 2.3 checking zip directory: 370 17/17-X-ray/ test 0: Phase 2.3 checking zip directory: 371 17/17-hsqc/ test 0: Phase 2.3 checking zip directory: 372 17/17-IR/ test 0: Phase 2.3 checking zip directory: 374 17/17-13C/ test 0: Phase 2.3 checking zip directory: 375 17/17-1H/ test 0: Phase 2.3 checking zip directory: 2 17/17-1H/17-1H.zip|50/ test 0: Phase 2.3 checking zip directory: 9 17/17-1H/17-1H.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 10 17/17-1H/17-1H.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 17/17-13C/17-13C.zip|1/ test 0: Phase 2.3 checking zip directory: 11 17/17-13C/17-13C.zip|1/pdata/ test 0: Phase 2.3 checking zip directory: 12 17/17-13C/17-13C.zip|1/pdata/1/ test 0: Phase 2.3 checking zip directory: 399 18/ test 0: Phase 2.3 checking zip directory: 400 18/18-X-ray/ test 0: Phase 2.3 checking zip directory: 401 18/18-hsqc/ test 0: Phase 2.3 checking zip directory: 403 18/18-13C/ test 0: Phase 2.3 checking zip directory: 405 18/18-hmbc/ test 0: Phase 2.3 checking zip directory: 407 18/18-1H/ test 0: Phase 2.3 checking zip directory: 408 18/18-IR/ test 0: Phase 2.3 checking zip directory: 2 18/18-1H/18-1H.zip|70/ test 0: Phase 2.3 checking zip directory: 8 18/18-1H/18-1H.zip|70/pdata/ test 0: Phase 2.3 checking zip directory: 9 18/18-1H/18-1H.zip|70/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 18/18-13C/18-13C.zip|71/ test 0: Phase 2.3 checking zip directory: 10 18/18-13C/18-13C.zip|71/pdata/ test 0: Phase 2.3 checking zip directory: 11 18/18-13C/18-13C.zip|71/pdata/1/ test 0: Phase 2.3 checking zip directory: 429 19/ test 0: Phase 2.3 checking zip directory: 431 19/19-hsqc/ test 0: Phase 2.3 checking zip directory: 434 19/19-13C/ test 0: Phase 2.3 checking zip directory: 436 19/19-X-ray/ test 0: Phase 2.3 checking zip directory: 437 19/19-hmbc/ test 0: Phase 2.3 checking zip directory: 438 19/19-IR/ test 0: Phase 2.3 checking zip directory: 439 19/19-1H/ test 0: Phase 2.3 checking zip directory: 2 19/19-1H/19-1H.zip|20/ test 0: Phase 2.3 checking zip directory: 8 19/19-1H/19-1H.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 9 19/19-1H/19-1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 19/19-13C/19-13C.zip|21/ test 0: Phase 2.3 checking zip directory: 9 19/19-13C/19-13C.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 10 19/19-13C/19-13C.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 459 20/ test 0: Phase 2.3 checking zip directory: 460 20/20-1H/ test 0: Phase 2.3 checking zip directory: 461 20/20-13C/ test 0: Phase 2.3 checking zip directory: 463 20/20-IR/ test 0: Phase 2.3 checking zip directory: 465 20/20-X-ray/ test 0: Phase 2.3 checking zip directory: 467 20/20-hmbc/ test 0: Phase 2.3 checking zip directory: 468 20/20-hsqc/ test 0: Phase 2.3 checking zip directory: 2 20/20-13C/20-13C.zip|31/ test 0: Phase 2.3 checking zip directory: 9 20/20-13C/20-13C.zip|31/pdata/ test 0: Phase 2.3 checking zip directory: 10 20/20-13C/20-13C.zip|31/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 20/20-1H/20-1H.zip|30/ test 0: Phase 2.3 checking zip directory: 8 20/20-1H/20-1H.zip|30/pdata/ test 0: Phase 2.3 checking zip directory: 9 20/20-1H/20-1H.zip|30/pdata/1/ test 0: Phase 2.3 checking zip directory: 489 21/ test 0: Phase 2.3 checking zip directory: 490 21/21-13C/ test 0: Phase 2.3 checking zip directory: 492 21/21-IR/ test 0: Phase 2.3 checking zip directory: 493 21/21-X-ray/ test 0: Phase 2.3 checking zip directory: 494 21/21-1H/ test 0: Phase 2.3 checking zip directory: 495 21/21-cosy/ test 0: Phase 2.3 checking zip directory: 500 21/21-hmbc/ test 0: Phase 2.3 checking zip directory: 501 21/21-hsqc/ test 0: Phase 2.3 checking zip directory: 2 21/21-1H/21-1H.zip|60/ test 0: Phase 2.3 checking zip directory: 8 21/21-1H/21-1H.zip|60/pdata/ test 0: Phase 2.3 checking zip directory: 9 21/21-1H/21-1H.zip|60/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 21/21-13C/21-13C.zip|1/ test 0: Phase 2.3 checking zip directory: 9 21/21-13C/21-13C.zip|1/pdata/ test 0: Phase 2.3 checking zip directory: 10 21/21-13C/21-13C.zip|1/pdata/1/ test 0: Phase 2.3 checking zip directory: 525 24/ test 0: Phase 2.3 checking zip directory: 527 24/24-hmbc/ test 0: Phase 2.3 checking zip directory: 528 24/24-1H/ test 0: Phase 2.3 checking zip directory: 530 24/24-13C/ test 0: Phase 2.3 checking 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0: Phase 2.3 checking zip directory: 1058 61/61-hmqc/ test 0: Phase 2.3 checking zip directory: 1060 61/61-hmbc/ test 0: Phase 2.3 checking zip directory: 1061 61/61-13C/ test 0: Phase 2.3 checking zip directory: 2 61/61-13C/61-13C.zip|23/ test 0: Phase 2.3 checking zip directory: 9 61/61-13C/61-13C.zip|23/pdata/ test 0: Phase 2.3 checking zip directory: 10 61/61-13C/61-13C.zip|23/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 61/61-hmbc/61-hmbc.zip|25/ test 0: Phase 2.3 checking zip directory: 10 61/61-hmbc/61-hmbc.zip|25/pdata/ test 0: Phase 2.3 checking zip directory: 11 61/61-hmbc/61-hmbc.zip|25/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 61/61-hmqc/61-hmqc.zip|24/ test 0: Phase 2.3 checking zip directory: 11 61/61-hmqc/61-hmqc.zip|24/pdata/ test 0: Phase 2.3 checking zip directory: 12 61/61-hmqc/61-hmqc.zip|24/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 61/61-cosy/61-cosy.zip|22/ test 0: Phase 2.3 checking zip directory: 10 61/61-cosy/61-cosy.zip|22/pdata/ test 0: Phase 2.3 checking zip directory: 11 61/61-cosy/61-cosy.zip|22/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 61/61-1H/61-1H.zip|20/ test 0: Phase 2.3 checking zip directory: 9 61/61-1H/61-1H.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 10 61/61-1H/61-1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 1086 62/ test 0: Phase 2.3 checking zip directory: 1089 62/62-X-Ray/ test 0: Phase 2.3 checking zip directory: 1091 62/62-hmbc/ test 0: Phase 2.3 checking zip directory: 1092 62/62-13C/ test 0: Phase 2.3 checking zip directory: 1094 62/62-cosy/ test 0: Phase 2.3 checking zip directory: 1095 62/62-hmqc/ test 0: Phase 2.3 checking zip directory: 1096 62/62-IR/ test 0: Phase 2.3 checking zip directory: 1098 62/62-1H/ test 0: Phase 2.3 checking zip directory: 2 62/62-1H/62-1H.zip|20/ test 0: Phase 2.3 checking zip directory: 9 62/62-1H/62-1H.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 10 62/62-1H/62-1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 62/62-cosy/62-cosy.zip|21/ test 0: Phase 2.3 checking zip directory: 9 62/62-cosy/62-cosy.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 10 62/62-cosy/62-cosy.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 62/62-13C/62-13C.zip|10/ test 0: Phase 2.3 checking zip directory: 10 62/62-13C/62-13C.zip|10/pdata/ test 0: Phase 2.3 checking zip directory: 11 62/62-13C/62-13C.zip|10/pdata/1/ test 0: Phase 2.3 checking zip directory: 1121 65/ test 0: Phase 2.3 checking zip directory: 1123 65/65-IR/ test 0: Phase 2.3 checking zip directory: 1125 65/65-X-ray/ test 0: Phase 2.3 checking zip directory: 1130 66/ test 0: Phase 2.3 checking zip directory: 1131 66/66-X-ray/ test 0: Phase 2.3 checking zip directory: 1136 66/66-IR/ test 0: Phase 2.3 checking zip directory: 1139 70/ test 0: Phase 2.3 checking zip directory: 1141 70/70-IR/ test 0: Phase 2.3 checking zip directory: 1143 70/70-X-ray/ test 0: Phase 2.3 checking zip directory: 1148 73/ test 0: Phase 2.3 checking zip directory: 1151 73/73-x-ray/ test 0: Phase 2.3 checking zip directory: 1153 74/ test 0: Phase 2.3 checking zip directory: 1155 74/74-x-ray/ test 0: Phase 2.3 checking zip directory: 1158 75/ test 0: Phase 2.3 checking zip directory: 1159 75/75-x-ray/ test 0: Phase 2.3 checking zip directory: 1161 76/ test 0: Phase 2.3 checking zip directory: 1163 76/76-x-ray/ test 0: Phase 2.3 checking zip directory: 1 5/ test 0: Phase 2.3 checking zip directory: 2 5/5-13C in dmso-d6/ test 0: Phase 2.3 checking zip directory: 4 5/5-1H in dmso-d6/ test 0: Phase 2.3 checking zip directory: 6 5/5-X-ray/ test 0: Phase 2.3 checking zip directory: 8 5/5-13C in CD3OD/ test 0: Phase 2.3 checking zip directory: 9 5/5-IR/ test 0: Phase 2.3 checking zip directory: 12 5/5-1H in CD3OD/ test 0: Phase 2.3 checking zip directory: 2 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/ test 0: Phase 2.3 checking zip directory: 8 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 9 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/ test 0: Phase 2.3 checking zip directory: 9 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/ test 0: Phase 2.3 checking zip directory: 10 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/ test 0: Phase 2.3 checking zip directory: 9 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/ test 0: Phase 2.3 checking zip directory: 10 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/ test 0: Phase 2.3 checking zip directory: 10 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 11 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 31 6/ test 0: Phase 2.3 checking zip directory: 33 6/6-cosy in CDCl3/ test 0: Phase 2.3 checking zip directory: 35 6/6-13C in CD3OD/ test 0: Phase 2.3 checking zip directory: 36 6/6-IR/ test 0: Phase 2.3 checking zip directory: 39 6/6-13C in CDCl3/ test 0: Phase 2.3 checking zip directory: 40 6/6-1H in CD3OD/ test 0: Phase 2.3 checking zip directory: 41 6/6-1H in CDCl3/ test 0: Phase 2.3 checking zip directory: 42 6/6-hmbc in CDCl3/ test 0: Phase 2.3 checking zip directory: 44 6/6-hsqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 2 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/ test 0: Phase 2.3 checking zip directory: 9 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/ test 0: Phase 2.3 checking zip directory: 10 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/ test 0: Phase 2.3 checking zip directory: 8 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 9 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/ test 0: Phase 2.3 checking zip directory: 8 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/ test 0: Phase 2.3 checking zip directory: 9 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/ test 0: Phase 2.3 checking zip directory: 10 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/ test 0: Phase 2.3 checking zip directory: 11 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/ test 0: Phase 2.3 checking zip directory: 9 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/ test 0: Phase 2.3 checking zip directory: 10 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/ test 0: Phase 2.3 checking zip directory: 9 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/ test 0: Phase 2.3 checking zip directory: 10 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/1/ test 0: Phase 2.3 checking zip directory: 74 8/ test 0: Phase 2.3 checking zip directory: 75 8/8-IR/ test 0: Phase 2.3 checking zip directory: 78 8/8-1H in CDCl3/ test 0: Phase 2.3 checking zip directory: 80 8/8-1H in CD3OD/ test 0: Phase 2.3 checking zip directory: 81 8/8-hmqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 82 8/8-hsqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 84 8/8-hmbc in CDCl3/ test 0: Phase 2.3 checking zip directory: 86 8/8-13C in CDCl3/ test 0: Phase 2.3 checking zip directory: 87 8/8-13C in CD3OD/ test 0: Phase 2.3 checking zip directory: 2 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/ test 0: Phase 2.3 checking zip directory: 10 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 11 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/ test 0: Phase 2.3 checking zip directory: 9 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/ test 0: Phase 2.3 checking zip directory: 10 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/ test 0: Phase 2.3 checking zip directory: 9 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/ test 0: Phase 2.3 checking zip directory: 10 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/ test 0: Phase 2.3 checking zip directory: 9 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 10 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/ test 0: Phase 2.3 checking zip directory: 8 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/ test 0: Phase 2.3 checking zip directory: 9 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/1/ test 0: Phase 2.3 checking zip directory: 113 9/ test 0: Phase 2.3 checking zip directory: 114 9/9-enol-HMBC/ test 0: Phase 2.3 checking zip directory: 115 9/9-enol-13C/ test 0: Phase 2.3 checking zip directory: 116 9/9-IR/ test 0: Phase 2.3 checking zip directory: 118 9/9-enol-HSQC/ test 0: Phase 2.3 checking zip directory: 119 9/9-keto-13C/ test 0: Phase 2.3 checking zip directory: 120 9/9-enol-1H/ test 0: Phase 2.3 checking zip directory: 124 9/9-enol-HMQC/ test 0: Phase 2.3 checking zip directory: 126 9/9-enol-cosy/ test 0: Phase 2.3 checking zip directory: 127 9/9-enolHMBC/ test 0: Phase 2.3 checking zip directory: 129 9/9-keto-1H/ test 0: Phase 2.3 checking zip directory: 2 9/9-keto-1H/9-keto form 1H.zip|20/ test 0: Phase 2.3 checking zip directory: 9 9/9-keto-1H/9-keto form 1H.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 10 9/9-keto-1H/9-keto form 1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 9/9-enol-cosy/9-enol form cosy.zip|11/ test 0: Phase 2.3 checking zip directory: 10 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/ test 0: Phase 2.3 checking zip directory: 11 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 9/9-enol-1H/9-enol form 1H.zip|10/ test 0: Phase 2.3 checking zip directory: 9 9/9-enol-1H/9-enol form 1H.zip|10/pdata/ test 0: Phase 2.3 checking zip directory: 10 9/9-enol-1H/9-enol form 1H.zip|10/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 9/9-keto-13C/9-keto form 13C.zip|21/ test 0: Phase 2.3 checking zip directory: 10 9/9-keto-13C/9-keto form 13C.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 11 9/9-keto-13C/9-keto form 13C.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 9/9-enol-13C/9-enol form 13C.zip|13/ test 0: Phase 2.3 checking zip directory: 10 9/9-enol-13C/9-enol form 13C.zip|13/pdata/ test 0: Phase 2.3 checking zip directory: 11 9/9-enol-13C/9-enol form 13C.zip|13/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 9/9-enol-HMBC/9-enol form hmbc.zip|14/ test 0: Phase 2.3 checking zip directory: 10 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/ test 0: Phase 2.3 checking zip directory: 11 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/1/ test 0: Phase 2.3 checking zip directory: 159 10/ test 0: Phase 2.3 checking zip directory: 160 10/10-cosy in CDCl3/ test 0: Phase 2.3 checking zip directory: 162 10/10-IR/ test 0: Phase 2.3 checking zip directory: 163 10/10-1H in CD3OD/ test 0: Phase 2.3 checking zip directory: 164 10/10-1H in CDCl3/ test 0: Phase 2.3 checking zip directory: 167 10/10-13C in CDCl3/ test 0: Phase 2.3 checking zip directory: 169 10/10-13C in CD3OD/ test 0: Phase 2.3 checking zip directory: 170 10/10-hmbc in CDCl3/ test 0: Phase 2.3 checking zip directory: 172 10/10-hmqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 173 10/10-hsqc in CDCl3/ test 0: Phase 2.3 checking zip directory: 2 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/ test 0: Phase 2.3 checking zip directory: 9 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/ test 0: Phase 2.3 checking zip directory: 10 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/ test 0: Phase 2.3 checking zip directory: 9 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/ test 0: Phase 2.3 checking zip directory: 10 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/ test 0: Phase 2.3 checking zip directory: 9 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/ test 0: Phase 2.3 checking zip directory: 10 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/ test 0: Phase 2.3 checking zip directory: 8 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 9 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/ test 0: Phase 2.3 checking zip directory: 8 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/ test 0: Phase 2.3 checking zip directory: 9 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/ test 0: Phase 2.3 checking zip directory: 10 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/ test 0: Phase 2.3 checking zip directory: 11 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/1/ test 0: Phase 2.3 checking zip directory: 203 11/ test 0: Phase 2.3 checking zip directory: 204 11/11-IR/ test 0: Phase 2.3 checking zip directory: 205 11/11-1H/ test 0: Phase 2.3 checking zip directory: 206 11/11-cosy/ test 0: Phase 2.3 checking zip directory: 209 11/11-hsqc/ test 0: Phase 2.3 checking zip directory: 210 11/11-X-ray/ test 0: Phase 2.3 checking zip directory: 213 11/11-hmbc/ test 0: Phase 2.3 checking zip directory: 215 11/11-13C/ test 0: Phase 2.3 checking zip directory: 2 11/11-13C/11-13C.zip|63/ test 0: Phase 2.3 checking zip directory: 10 11/11-13C/11-13C.zip|63/pdata/ test 0: Phase 2.3 checking zip directory: 11 11/11-13C/11-13C.zip|63/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 11/11-hmbc/11-hmbc.zip|64/ test 0: Phase 2.3 checking zip directory: 9 11/11-hmbc/11-hmbc.zip|64/pdata/ test 0: Phase 2.3 checking zip directory: 10 11/11-hmbc/11-hmbc.zip|64/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 11/11-1H/11-1H.zip|60/ test 0: Phase 2.3 checking zip directory: 9 11/11-1H/11-1H.zip|60/pdata/ test 0: Phase 2.3 checking zip directory: 10 11/11-1H/11-1H.zip|60/pdata/1/ test 0: Phase 2.3 checking zip directory: 238 12/ test 0: Phase 2.3 checking zip directory: 239 12/12-hmbc/ test 0: Phase 2.3 checking zip directory: 240 12/12-hsqc/ test 0: Phase 2.3 checking zip directory: 244 12/12-1H/ test 0: Phase 2.3 checking zip directory: 245 12/12-X-ray/ test 0: Phase 2.3 checking zip directory: 246 12/12-cosy/ test 0: Phase 2.3 checking zip directory: 247 12/12-13C/ test 0: Phase 2.3 checking zip directory: 248 12/12-IR/ test 0: Phase 2.3 checking zip directory: 2 12/12-13C/12-13C.zip|73/ test 0: Phase 2.3 checking zip directory: 9 12/12-13C/12-13C.zip|73/pdata/ test 0: Phase 2.3 checking zip directory: 10 12/12-13C/12-13C.zip|73/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 12/12-1H/12-1H.zip|70/ test 0: Phase 2.3 checking zip directory: 8 12/12-1H/12-1H.zip|70/pdata/ test 0: Phase 2.3 checking zip directory: 9 12/12-1H/12-1H.zip|70/pdata/1/ test 0: Phase 2.3 checking zip directory: 273 14/ test 0: Phase 2.3 checking zip directory: 274 14/14-1H/ test 0: Phase 2.3 checking zip directory: 275 14/14-IR/ test 0: Phase 2.3 checking zip directory: 276 14/14-hsqc/ test 0: Phase 2.3 checking zip directory: 278 14/14-hmbc/ test 0: Phase 2.3 checking zip directory: 279 14/14-cosy/ test 0: Phase 2.3 checking zip directory: 282 14/14-13C/ test 0: Phase 2.3 checking zip directory: 285 14/14-X-ray/ test 0: Phase 2.3 checking zip directory: 2 14/14-13C/14-13C.zip|93/ test 0: Phase 2.3 checking zip directory: 9 14/14-13C/14-13C.zip|93/pdata/ test 0: Phase 2.3 checking zip directory: 10 14/14-13C/14-13C.zip|93/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 14/14-1H/14-1H.zip|90/ test 0: Phase 2.3 checking zip directory: 8 14/14-1H/14-1H.zip|90/pdata/ test 0: Phase 2.3 checking zip directory: 9 14/14-1H/14-1H.zip|90/pdata/1/ test 0: Phase 2.3 checking zip directory: 308 15/ test 0: Phase 2.3 checking zip directory: 309 15/15-IR/ test 0: Phase 2.3 checking zip directory: 310 15/15-1H/ test 0: Phase 2.3 checking zip directory: 313 15/15-X-ray/ test 0: Phase 2.3 checking zip directory: 314 15/15-solvate-X-ray/ test 0: Phase 2.3 checking zip directory: 316 15/15-13C/ test 0: Phase 2.3 checking zip directory: 2 15/15-13C/15b-13C.zip|32/ test 0: Phase 2.3 checking zip directory: 10 15/15-13C/15b-13C.zip|32/pdata/ test 0: Phase 2.3 checking zip directory: 11 15/15-13C/15b-13C.zip|32/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/ test 0: Phase 2.3 checking zip directory: 9 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/ test 0: Phase 2.3 checking zip directory: 10 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/ test 0: Phase 2.3 checking zip directory: 9 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/ test 0: Phase 2.3 checking zip directory: 10 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/1/ test 0: Phase 2.3 checking zip directory: 334 16/ test 0: Phase 2.3 checking zip directory: 337 16/16-hmbc/ test 0: Phase 2.3 checking zip directory: 340 16/16-1H/ test 0: Phase 2.3 checking zip directory: 341 16/16-13C/ test 0: Phase 2.3 checking zip directory: 342 16/16-X-ray/ test 0: Phase 2.3 checking zip directory: 344 16/16-IR/ test 0: Phase 2.3 checking zip directory: 345 16/16-hsqc/ test 0: Phase 2.3 checking zip directory: 2 16/16-13C/16-13C.zip|51/ test 0: Phase 2.3 checking zip directory: 10 16/16-13C/16-13C.zip|51/pdata/ test 0: Phase 2.3 checking zip directory: 11 16/16-13C/16-13C.zip|51/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 16/16-1H/16-1H.zip|50/ test 0: Phase 2.3 checking zip directory: 8 16/16-1H/16-1H.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 9 16/16-1H/16-1H.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 364 17/ test 0: Phase 2.3 checking zip directory: 367 17/17-cosy/ test 0: Phase 2.3 checking zip directory: 369 17/17-hmbc/ test 0: Phase 2.3 checking zip directory: 370 17/17-X-ray/ test 0: Phase 2.3 checking zip directory: 371 17/17-hsqc/ test 0: Phase 2.3 checking zip directory: 372 17/17-IR/ test 0: Phase 2.3 checking zip directory: 374 17/17-13C/ test 0: Phase 2.3 checking zip directory: 375 17/17-1H/ test 0: Phase 2.3 checking zip directory: 2 17/17-1H/17-1H.zip|50/ test 0: Phase 2.3 checking zip directory: 9 17/17-1H/17-1H.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 10 17/17-1H/17-1H.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 17/17-13C/17-13C.zip|1/ test 0: Phase 2.3 checking zip directory: 11 17/17-13C/17-13C.zip|1/pdata/ test 0: Phase 2.3 checking zip directory: 12 17/17-13C/17-13C.zip|1/pdata/1/ test 0: Phase 2.3 checking zip directory: 399 18/ test 0: Phase 2.3 checking zip directory: 400 18/18-X-ray/ test 0: Phase 2.3 checking zip directory: 401 18/18-hsqc/ test 0: Phase 2.3 checking zip directory: 403 18/18-13C/ test 0: Phase 2.3 checking zip directory: 405 18/18-hmbc/ test 0: Phase 2.3 checking zip directory: 407 18/18-1H/ test 0: Phase 2.3 checking zip directory: 408 18/18-IR/ test 0: Phase 2.3 checking zip directory: 2 18/18-1H/18-1H.zip|70/ test 0: Phase 2.3 checking zip directory: 8 18/18-1H/18-1H.zip|70/pdata/ test 0: Phase 2.3 checking zip directory: 9 18/18-1H/18-1H.zip|70/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 18/18-13C/18-13C.zip|71/ test 0: Phase 2.3 checking zip directory: 10 18/18-13C/18-13C.zip|71/pdata/ test 0: Phase 2.3 checking zip 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test 0: Phase 2.3 checking zip directory: 567 25/25-13C/ test 0: Phase 2.3 checking zip directory: 568 25/25-hsqc/ test 0: Phase 2.3 checking zip directory: 572 25/25-cosy/ test 0: Phase 2.3 checking zip directory: 2 25/25-13C/25-13C.zip|73/ test 0: Phase 2.3 checking zip directory: 10 25/25-13C/25-13C.zip|73/pdata/ test 0: Phase 2.3 checking zip directory: 11 25/25-13C/25-13C.zip|73/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 25/25-1H/25-1H.zip|70/ test 0: Phase 2.3 checking zip directory: 9 25/25-1H/25-1H.zip|70/pdata/ test 0: Phase 2.3 checking zip directory: 10 25/25-1H/25-1H.zip|70/pdata/1/ test 0: Phase 2.3 checking zip directory: 595 28/ test 0: Phase 2.3 checking zip directory: 596 28/28-hmbc/ test 0: Phase 2.3 checking zip directory: 598 28/28-hsqc/ test 0: Phase 2.3 checking zip directory: 599 28/28-1H/ test 0: Phase 2.3 checking zip directory: 601 28/28-X-ray/ test 0: Phase 2.3 checking zip directory: 603 28/28-IR/ test 0: Phase 2.3 checking zip directory: 604 28/28-13C/ test 0: Phase 2.3 checking zip directory: 2 28/28-13C/28-13C.zip|21/ test 0: Phase 2.3 checking zip directory: 10 28/28-13C/28-13C.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 11 28/28-13C/28-13C.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 28/28-1H/28-1H.zip|20/ test 0: Phase 2.3 checking zip directory: 9 28/28-1H/28-1H.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 10 28/28-1H/28-1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 625 33/ test 0: Phase 2.3 checking zip directory: 628 33/33-acetone-d6/ test 0: Phase 2.3 checking zip directory: 629 33/33-CDCl3/ test 0: Phase 2.3 checking zip directory: 631 33/33-x-ray/ test 0: Phase 2.3 checking zip directory: 632 33/33-IR/ test 0: Phase 2.3 checking zip directory: 636 33/33-CDCl3/33-in CDCl3 hmbc/ test 0: Phase 2.3 checking zip directory: 637 33/33-CDCl3/33-in CDCl3 13C/ test 0: Phase 2.3 checking zip directory: 639 33/33-CDCl3/33-in CDCl3 1H/ test 0: Phase 2.3 checking zip directory: 640 33/33-CDCl3/33-in CDCl3 hmqc/ test 0: Phase 2.3 checking zip directory: 641 33/33-CDCl3/33-in CDCl3 cosy/ test 0: Phase 2.3 checking zip directory: 2 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/ test 0: Phase 2.3 checking zip directory: 10 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/ test 0: Phase 2.3 checking zip directory: 11 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/ test 0: Phase 2.3 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/ test 0: Phase 2.3 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/ test 0: Phase 2.3 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/ test 0: Phase 2.3 checking zip directory: 10 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/ test 0: Phase 2.3 checking zip directory: 10 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/ test 0: Phase 2.3 checking zip directory: 11 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/1/ test 0: Phase 2.3 checking zip directory: 662 33/33-acetone-d6/33-in acetone-d6 13C/ test 0: Phase 2.3 checking zip directory: 663 33/33-acetone-d6/33-in acetone-d6 hmbc/ test 0: Phase 2.3 checking zip directory: 664 33/33-acetone-d6/33-in acetone-d6 1H/ test 0: Phase 2.3 checking zip directory: 666 33/33-acetone-d6/33-in acetone-d6 hmqc/ test 0: Phase 2.3 checking zip directory: 2 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/ test 0: Phase 2.3 checking zip directory: 8 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/ test 0: Phase 2.3 checking zip directory: 9 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/ test 0: Phase 2.3 checking zip directory: 9 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/ test 0: Phase 2.3 checking zip directory: 10 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/ test 0: Phase 2.3 checking zip directory: 10 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/ test 0: Phase 2.3 checking zip directory: 11 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/1/ test 0: Phase 2.3 checking zip directory: 683 34/ test 0: Phase 2.3 checking zip directory: 685 34/34-IR/ test 0: Phase 2.3 checking zip directory: 689 34/34-X-Ray/ test 0: Phase 2.3 checking zip directory: 690 34/34-NMR-acetone-d6/ test 0: Phase 2.3 checking 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34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/ test 0: Phase 2.3 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/pdata/ test 0: Phase 2.3 checking zip directory: 10 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/ test 0: Phase 2.3 checking zip directory: 10 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/ test 0: Phase 2.3 checking zip directory: 11 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/1/ test 0: Phase 2.3 checking zip directory: 719 34/34-NMR-acetone-d6/34-in acetone-d6 13C/ test 0: Phase 2.3 checking zip directory: 720 34/34-NMR-acetone-d6/34-in acetone-d6 1H/ test 0: Phase 2.3 checking zip directory: 721 34/34-NMR-acetone-d6/34-in acetone-d6 hmbc/ test 0: Phase 2.3 checking zip 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test 0: Phase 2.3 checking zip directory: 749 37/37-hmbc/ test 0: Phase 2.3 checking zip directory: 750 37/37-IR/ test 0: Phase 2.3 checking zip directory: 752 37/37-hsqc/ test 0: Phase 2.3 checking zip directory: 753 37/37-1H/ test 0: Phase 2.3 checking zip directory: 2 37/37-1H/37-1H.zip|50/ test 0: Phase 2.3 checking zip directory: 8 37/37-1H/37-1H.zip|50/pdata/ test 0: Phase 2.3 checking zip directory: 9 37/37-1H/37-1H.zip|50/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 37/37-cosy/37-cosy.zip|21/ test 0: Phase 2.3 checking zip directory: 10 37/37-cosy/37-cosy.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 11 37/37-cosy/37-cosy.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 37/37-13C/37-3C.zip|23/ test 0: Phase 2.3 checking zip directory: 10 37/37-13C/37-3C.zip|23/pdata/ test 0: Phase 2.3 checking zip directory: 11 37/37-13C/37-3C.zip|23/pdata/1/ test 0: Phase 2.3 checking zip directory: 776 38/ test 0: Phase 2.3 checking zip directory: 777 38/38-X-ray/ 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38/38-cosy/38-cosy.zip|41/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 38/38-hmbc/38-hmbc.zip|44/ test 0: Phase 2.3 checking zip directory: 9 38/38-hmbc/38-hmbc.zip|44/pdata/ test 0: Phase 2.3 checking zip directory: 10 38/38-hmbc/38-hmbc.zip|44/pdata/1/ test 0: Phase 2.3 checking zip directory: 811 39/ test 0: Phase 2.3 checking zip directory: 815 39/39-X-ray/ test 0: Phase 2.3 checking zip directory: 817 39/39-hmbc/ test 0: Phase 2.3 checking zip directory: 818 39/39b-X-ray/ test 0: Phase 2.3 checking zip directory: 819 39/39-IR/ test 0: Phase 2.3 checking zip directory: 820 39/39-1H/ test 0: Phase 2.3 checking zip directory: 821 39/39-cosy/ test 0: Phase 2.3 checking zip directory: 822 39/39-hmqc/ test 0: Phase 2.3 checking zip directory: 824 39/39-13C/ test 0: Phase 2.3 checking zip directory: 2 39/39-13C/39-13C.zip|43/ test 0: Phase 2.3 checking zip directory: 10 39/39-13C/39-13C.zip|43/pdata/ test 0: Phase 2.3 checking zip directory: 11 39/39-13C/39-13C.zip|43/pdata/1/ 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40/40-1H/40-1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 883 42/ test 0: Phase 2.3 checking zip directory: 884 42/42-X-ray/ test 0: Phase 2.3 checking zip directory: 889 42/42-IR/ test 0: Phase 2.3 checking zip directory: 892 46/ test 0: Phase 2.3 checking zip directory: 894 46/46-X-ray/ test 0: Phase 2.3 checking zip directory: 897 46/46-IR/ test 0: Phase 2.3 checking zip directory: 901 49/ test 0: Phase 2.3 checking zip directory: 902 49/49-hmbc/ test 0: Phase 2.3 checking zip directory: 905 49/49-hsqc/ test 0: Phase 2.3 checking zip directory: 907 49/49-1H/ test 0: Phase 2.3 checking zip directory: 908 49/49-13C/ test 0: Phase 2.3 checking zip directory: 909 49/49-IR/ test 0: Phase 2.3 checking zip directory: 911 49/49-X-ray/ test 0: Phase 2.3 checking zip directory: 912 49/49-cosy/ test 0: Phase 2.3 checking zip directory: 2 49/49-13C/49-13C.zip|23/ test 0: Phase 2.3 checking zip directory: 9 49/49-13C/49-13C.zip|23/pdata/ test 0: Phase 2.3 checking zip directory: 10 49/49-13C/49-13C.zip|23/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 49/49-1H/49-1H.zip|20/ test 0: Phase 2.3 checking zip directory: 8 49/49-1H/49-1H.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 9 49/49-1H/49-1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 937 50/ test 0: Phase 2.3 checking zip directory: 938 50/50-IR/ test 0: Phase 2.3 checking zip directory: 939 50/50-1H/ test 0: Phase 2.3 checking zip directory: 940 50/50-cosy/ test 0: Phase 2.3 checking zip directory: 941 50/50-13C/ test 0: Phase 2.3 checking zip directory: 944 50/50-hsqc/ test 0: Phase 2.3 checking zip directory: 945 50/50-X-ray/ test 0: Phase 2.3 checking zip directory: 946 50/50-hmbc/ test 0: Phase 2.3 checking zip directory: 2 50/50-13C/50-13C.zip|63/ test 0: Phase 2.3 checking zip directory: 9 50/50-13C/50-13C.zip|63/pdata/ test 0: Phase 2.3 checking zip directory: 10 50/50-13C/50-13C.zip|63/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 50/50-1H/50-1H.zip|60/ test 0: Phase 2.3 checking zip directory: 8 50/50-1H/50-1H.zip|60/pdata/ test 0: Phase 2.3 checking zip directory: 9 50/50-1H/50-1H.zip|60/pdata/1/ test 0: Phase 2.3 checking zip directory: 972 53/ test 0: Phase 2.3 checking zip directory: 976 53/53-IR/ test 0: Phase 2.3 checking zip directory: 977 53/53-X-ray/ test 0: Phase 2.3 checking zip directory: 981 54/ test 0: Phase 2.3 checking zip directory: 983 54/54-IR/ test 0: Phase 2.3 checking zip directory: 985 54/54-X-ray/ test 0: Phase 2.3 checking zip directory: 990 55/ test 0: Phase 2.3 checking zip directory: 991 55/55-IR/ test 0: Phase 2.3 checking zip directory: 995 55/55-X-ray/ test 0: Phase 2.3 checking zip directory: 999 56/ test 0: Phase 2.3 checking zip directory: 1002 56/56-X-ray/ test 0: Phase 2.3 checking zip directory: 1004 56/56-IR/ test 0: Phase 2.3 checking zip directory: 1006 56/56-comp/ test 0: Phase 2.3 checking zip directory: 1007 56/56-comp/10292/ test 0: Phase 2.3 checking zip directory: 1008 56/56-comp/10323/ test 0: Phase 2.3 checking zip directory: 1009 56/56-comp/10311/ test 0: Phase 2.3 checking zip directory: 1024 57/ test 0: Phase 2.3 checking zip directory: 1029 57/57-x-ray/ test 0: Phase 2.3 checking zip directory: 1030 57/57-IR/ test 0: Phase 2.3 checking zip directory: 1033 58/ test 0: Phase 2.3 checking zip directory: 1037 58/58-X-ray/ test 0: Phase 2.3 checking zip directory: 1038 58/58-IR/ test 0: Phase 2.3 checking zip directory: 1042 60/ test 0: Phase 2.3 checking zip directory: 1043 60/60-X-ray/ test 0: Phase 2.3 checking zip directory: 1044 60/60-IR/ test 0: Phase 2.3 checking zip directory: 1051 61/ test 0: Phase 2.3 checking zip directory: 1052 61/61-1H/ test 0: Phase 2.3 checking zip directory: 1055 61/61-IR/ test 0: Phase 2.3 checking zip directory: 1056 61/61-cosy/ test 0: Phase 2.3 checking zip directory: 1057 61/61-X-Ray/ test 0: Phase 2.3 checking zip directory: 1058 61/61-hmqc/ test 0: Phase 2.3 checking zip directory: 1060 61/61-hmbc/ test 0: Phase 2.3 checking zip directory: 1061 61/61-13C/ test 0: Phase 2.3 checking zip directory: 2 61/61-13C/61-13C.zip|23/ test 0: Phase 2.3 checking zip directory: 9 61/61-13C/61-13C.zip|23/pdata/ test 0: Phase 2.3 checking zip directory: 10 61/61-13C/61-13C.zip|23/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 61/61-hmbc/61-hmbc.zip|25/ test 0: Phase 2.3 checking zip directory: 10 61/61-hmbc/61-hmbc.zip|25/pdata/ test 0: Phase 2.3 checking zip directory: 11 61/61-hmbc/61-hmbc.zip|25/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 61/61-hmqc/61-hmqc.zip|24/ test 0: Phase 2.3 checking zip directory: 11 61/61-hmqc/61-hmqc.zip|24/pdata/ test 0: Phase 2.3 checking zip directory: 12 61/61-hmqc/61-hmqc.zip|24/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 61/61-cosy/61-cosy.zip|22/ test 0: Phase 2.3 checking zip directory: 10 61/61-cosy/61-cosy.zip|22/pdata/ test 0: Phase 2.3 checking zip directory: 11 61/61-cosy/61-cosy.zip|22/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 61/61-1H/61-1H.zip|20/ test 0: Phase 2.3 checking zip directory: 9 61/61-1H/61-1H.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 10 61/61-1H/61-1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 1086 62/ test 0: Phase 2.3 checking zip directory: 1089 62/62-X-Ray/ test 0: Phase 2.3 checking zip directory: 1091 62/62-hmbc/ test 0: Phase 2.3 checking zip directory: 1092 62/62-13C/ test 0: Phase 2.3 checking zip directory: 1094 62/62-cosy/ test 0: Phase 2.3 checking zip directory: 1095 62/62-hmqc/ test 0: Phase 2.3 checking zip directory: 1096 62/62-IR/ test 0: Phase 2.3 checking zip directory: 1098 62/62-1H/ test 0: Phase 2.3 checking zip directory: 2 62/62-1H/62-1H.zip|20/ test 0: Phase 2.3 checking zip directory: 9 62/62-1H/62-1H.zip|20/pdata/ test 0: Phase 2.3 checking zip directory: 10 62/62-1H/62-1H.zip|20/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 62/62-cosy/62-cosy.zip|21/ test 0: Phase 2.3 checking zip directory: 9 62/62-cosy/62-cosy.zip|21/pdata/ test 0: Phase 2.3 checking zip directory: 10 62/62-cosy/62-cosy.zip|21/pdata/1/ test 0: Phase 2.3 checking zip directory: 2 62/62-13C/62-13C.zip|10/ test 0: Phase 2.3 checking zip directory: 10 62/62-13C/62-13C.zip|10/pdata/ test 0: Phase 2.3 checking zip directory: 11 62/62-13C/62-13C.zip|10/pdata/1/ test 0: Phase 2.3 checking zip directory: 1121 65/ test 0: Phase 2.3 checking zip directory: 1123 65/65-IR/ test 0: Phase 2.3 checking zip directory: 1125 65/65-X-ray/ test 0: Phase 2.3 checking zip directory: 1130 66/ test 0: Phase 2.3 checking zip directory: 1131 66/66-X-ray/ test 0: Phase 2.3 checking zip directory: 1136 66/66-IR/ test 0: Phase 2.3 checking zip directory: 1139 70/ test 0: Phase 2.3 checking zip directory: 1141 70/70-IR/ test 0: Phase 2.3 checking zip directory: 1143 70/70-X-ray/ test 0: Phase 2.3 checking zip directory: 1148 73/ test 0: Phase 2.3 checking zip directory: 1151 73/73-x-ray/ test 0: Phase 2.3 checking zip directory: 1153 74/ test 0: Phase 2.3 checking zip directory: 1155 74/74-x-ray/ test 0: Phase 2.3 checking zip directory: 1158 75/ test 0: Phase 2.3 checking zip directory: 1159 75/75-x-ray/ test 0: Phase 2.3 checking zip directory: 1161 76/ test 0: Phase 2.3 checking zip directory: 1163 76/76-x-ray/ test 0: !Structure [IFDStructure 3 id=5 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 3 id=5 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 559 id=AB2127_x.cif size=1 isValid=true] test 0: !Structure [IFDStructure 8 id=6 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 12 id=8 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 16 id=9 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 20 id=10 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 24 id=11 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 24 id=11 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 560 id=AB2238_x.cif size=1 isValid=true] test 0: ! WARNING: 11/11-X-ray/AB2238_x.cif property IFD.property.structure.molecular_formula can't set value 'H 72 C 56 N 8 O 20 Na 3', as it is already set to 'H 19 C 14 N 2 O 6 Na 1' from 11/11.cdxml -- Extractor.setPropertyIfNotAlreadySet Archive test 0: !Structure [IFDStructure 28 id=12 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 28 id=12 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 561 id=AB2120_x.cif size=1 isValid=true] test 0: ! WARNING: 12/12-X-ray/AB2120_x.cif property IFD.property.structure.molecular_formula can't set value 'H 22 C 24 N 4 O 9 Na 2', as it is already set to 'H 15 C 12 N 2 O 5 Na 1' from 12/12.cdxml -- Extractor.setPropertyIfNotAlreadySet Archive test 0: !Structure [IFDStructure 32 id=14 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 32 id=14 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 562 id=AB2204_x.cif size=1 isValid=true] test 0: ! WARNING: 14/14-X-ray/AB2204_x.cif property IFD.property.structure.molecular_formula can't set value 'H 60 C 48 N 16 O 24 Na 4', as it is already set to 'H 7 C 6 N 2 O 3 Na 1' from 14/14.cdxml -- Extractor.setPropertyIfNotAlreadySet Archive test 0: !Structure [IFDStructure 36 id=15 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 36 id=15 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 563 id=AB2118b.cif size=1 isValid=true] test 0: !Structure [IFDStructure 36 id=15 size=9 isValid=true] created and associated with [FAIRSpecXRAYData 564 id=AB2111.cif size=1 isValid=true] test 0: ! WARNING: 15/15-X-ray/AB2111.cif property IFD.property.structure.molecular_formula can't set value 'H 38 C 30 N 4 O 10 Mg 1', as it is already set to 'H 42 C 32 N 4 O 10 Mg 1' from 15/15.cdxml -- Extractor.setPropertyIfNotAlreadySet Archive test 0: ! WARNING: 15/15-X-ray/AB2111.cif property IFD.property.structure.empirical_formula can't set value 'H 38 C 30 N 4 O 10 Mg 1', as it is already set to 'H 42 C 32 N 4 O 10 Mg 1' from 15/15-solvate-X-ray/AB2118b.cif -- Extractor.setPropertyIfNotAlreadySet Archive test 0: ! WARNING: 15/15-X-ray/AB2111.cif property IFD.property.structure.cell_formula can't set value 'H 38 C 30 N 4 O 10 Mg 1', as it is already set to 'H 42 C 32 N 4 O 10 Mg 1' from 15/15-solvate-X-ray/AB2118b.cif -- Extractor.setPropertyIfNotAlreadySet Archive test 0: !Structure [IFDStructure 41 id=16 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 41 id=16 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 565 id=AB2116b_x.cif size=1 isValid=true] test 0: !Structure [IFDStructure 45 id=17 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 45 id=17 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 566 id=AB2221_x.cif size=1 isValid=true] test 0: !Structure [IFDStructure 49 id=18 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 49 id=18 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 567 id=AB2115_x.cif size=1 isValid=true] test 0: !Structure [IFDStructure 53 id=19 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 53 id=19 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 568 id=AB2119_x.cif size=1 isValid=true] test 0: ! WARNING: 19/19-X-ray/AB2119_x.cif property IFD.property.structure.molecular_formula can't set value 'H 21 C 16 N 2 O 5 Ca 1', as it is already set to 'H 42 C 32 N 4 O 10 Ca 1' from 19/19.cdxml -- Extractor.setPropertyIfNotAlreadySet Archive test 0: !Structure [IFDStructure 57 id=20 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 57 id=20 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 569 id=AB2117_x.cif size=1 isValid=true] test 0: ! WARNING: 20/20-X-ray/AB2117_x.cif property IFD.property.structure.molecular_formula can't set value 'H 60 C 52 N 8 O 16 Ca 2', as it is already set to 'H 29 C 26 N 4 O 8 Ca 1' from 20/20.cdxml -- Extractor.setPropertyIfNotAlreadySet Archive test 0: !Structure [IFDStructure 61 id=21 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 61 id=21 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 570 id=AB2144_x.cif size=1 isValid=true] test 0: ! WARNING: 21/21-X-ray/AB2144_x.cif property IFD.property.structure.molecular_formula can't set value 'H 21 C 20 N 2 O 4 Ca 1', as it is already set to 'H 42 C 40 N 4 O 8 Ca 1' from 21/21.cdxml -- Extractor.setPropertyIfNotAlreadySet Archive test 0: !Structure [IFDStructure 66 id=24 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 66 id=24 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 571 id=AB2123_x.cif size=1 isValid=true] test 0: ! WARNING: 24/24-X-ray/AB2123_x.cif property IFD.property.structure.molecular_formula can't set value 'H 35 C 36 N 6 O 10 Sc 1', as it is already set to 'H 34 C 36 N 6 O 10 Sc 1' from 24/24.cdxml -- Extractor.setPropertyIfNotAlreadySet Archive test 0: !Structure [IFDStructure 70 id=25 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 70 id=25 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 572 id=AB2141_x.cif size=1 isValid=true] test 0: !Structure [IFDStructure 74 id=28 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 74 id=28 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 573 id=AB2218_x.cif size=1 isValid=true] test 0: ! WARNING: 28/28-X-ray/AB2218_x.cif property IFD.property.structure.molecular_formula can't set value 'H 41 C 38 N 6 O 11 Y 1', as it is already set to 'H 35 C 36 N 6 O 11 Y 1' from 28/28.cdxml -- Extractor.setPropertyIfNotAlreadySet Archive test 0: !Structure [IFDStructure 78 id=33 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 78 id=33 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 574 id=AB2121_x.cif size=1 isValid=true] test 0: !Structure [IFDStructure 82 id=34 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 82 id=34 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 575 id=AB2124_x.cif size=1 isValid=true] test 0: ! WARNING: 34/34-X-Ray/AB2124_x.cif property IFD.property.structure.molecular_formula can't set value 'H 45 C 49 N 8 O 12 Cl 3 Zr 1', as it is already set to 'H 44 C 48 N 8 O 12 Zr 1' from 34/34.cdxml -- Extractor.setPropertyIfNotAlreadySet Archive test 0: !Structure [IFDStructure 86 id=37 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 86 id=37 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 576 id=AB2149_x.cif size=1 isValid=true] test 0: ! WARNING: 37/37-X-ray/AB2149_x.cif property IFD.property.structure.molecular_formula can't set value 'H 35 C 33 N 4 O 8 Cl 1 Zr 1', as it is already set to 'H 39 C 33 N 4 O 8 Cl 1 Zr 1' from 37/37.cdxml -- Extractor.setPropertyIfNotAlreadySet Archive test 0: !Structure [IFDStructure 90 id=38 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 90 id=38 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 577 id=AB2157_x.cif size=1 isValid=true] test 0: ! WARNING: 38/38-X-ray/AB2157_x.cif property IFD.property.structure.molecular_formula can't set value 'H 54 C 58 N 8 O 13 Zr 2', as it is already set to 'H 62 C 58 N 8 O 13 Zr 2' from 38/38.cdxml -- Extractor.setPropertyIfNotAlreadySet Archive test 0: !Structure [IFDStructure 94 id=39 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 94 id=39 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 578 id=AB2143_x.cif size=1 isValid=true] test 0: ! WARNING: 39/39b-X-ray/AB2143_x.cif property IFD.property.structure.molecular_formula can't set value 'H 44 C 36 N 4 O 16 Rh 2', as it is already set to 'H 50 C 38 N 4 O 16 Rh 2' from 39/39.cdxml -- Extractor.setPropertyIfNotAlreadySet Archive test 0: !Structure [IFDStructure 94 id=39 size=9 isValid=true] created and associated with [FAIRSpecXRAYData 579 id=AB2146_x.cif size=1 isValid=true] test 0: ! WARNING: 39/39-X-ray/AB2146_x.cif property IFD.property.structure.molecular_formula can't set value 'H 49 C 42 N 4 O 16 Cl 1 Rh 2', as it is already set to 'H 50 C 38 N 4 O 16 Rh 2' from 39/39.cdxml -- Extractor.setPropertyIfNotAlreadySet Archive test 0: ! WARNING: 39/39-X-ray/AB2146_x.cif property IFD.property.structure.empirical_formula can't set value '?', as it is already set to 'H 22 C 18 N 2 O 8 Rh 1' from 39/39b-X-ray/AB2143_x.cif -- Extractor.setPropertyIfNotAlreadySet Archive test 0: ! WARNING: 39/39-X-ray/AB2146_x.cif property IFD.property.structure.cell_formula can't set value '?', as it is already set to 'H 44 C 36 N 4 O 16 Rh 2' from 39/39b-X-ray/AB2143_x.cif -- Extractor.setPropertyIfNotAlreadySet Archive test 0: !Structure [IFDStructure 98 id=40 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 98 id=40 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 580 id=AB2130_x.cif size=1 isValid=true] test 0: ! WARNING: 40/40-X-ray/AB2130_x.cif property IFD.property.structure.molecular_formula can't set value 'H 36 C 32 N 4 O 14 Rh 2', as it is already set to 'H 12 C 8 O 8 Rh 2' from 40/40.cdxml -- Extractor.setPropertyIfNotAlreadySet Archive test 0: !Structure [IFDStructure 102 id=42 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 102 id=42 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 581 id=AB2207_x.cif size=1 isValid=true] test 0: !Structure [IFDStructure 106 id=46 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 106 id=46 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 582 id=AB2210_x.cif size=1 isValid=true] test 0: !Structure [IFDStructure 110 id=49 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 110 id=49 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 583 id=AB2133b_x.cif size=1 isValid=true] test 0: ! WARNING: 49/49-X-ray/AB2133b_x.cif property IFD.property.structure.molecular_formula can't set value 'H 60 C 56 N 8 O 16 Zn 4', as it is already set to 'H 21 C 14 N 4 O 6 Zn 1' from 49/49.cdxml -- Extractor.setPropertyIfNotAlreadySet Archive test 0: !Structure [IFDStructure 114 id=50 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 114 id=50 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 584 id=AB2128_x.cif size=1 isValid=true] test 0: !Structure [IFDStructure 118 id=53 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 118 id=53 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 585 id=AB2208_x.cif size=1 isValid=true] test 0: ! WARNING: 53/53-X-ray/AB2208_x.cif property IFD.property.structure.molecular_formula can't set value 'H 40 C 38 N 6 O 8 Cu 1', as it is already set to 'H 42 C 32 N 4 O 10 Cu 1' from 53/53.cdxml -- Extractor.setPropertyIfNotAlreadySet Archive test 0: !Structure [IFDStructure 122 id=54 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 122 id=54 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 586 id=AB2153_x.cif size=1 isValid=true] test 0: ! WARNING: 54/54-X-ray/AB2153_x.cif property IFD.property.structure.molecular_formula can't set value 'H 44 C 48 N 8 O 12 Cu 4', as it is already set to 'H 11 C 12 N 2 O 3 Cu 1' from 54/54.cdxml -- Extractor.setPropertyIfNotAlreadySet Archive test 0: !Structure [IFDStructure 126 id=55 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 126 id=55 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 587 id=AB2246_x.cif size=1 isValid=true] test 0: ! WARNING: 55/55-X-ray/AB2246_x.cif property IFD.property.structure.molecular_formula can't set value 'H 60 C 72 N 8 O 12 Cu 2', as it is already set to 'H 15 C 18 N 2 O 3 Cu 1' from 55/55.cdxml -- Extractor.setPropertyIfNotAlreadySet Archive test 0: !Structure [IFDStructure 130 id=56 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 223 id=56-comp/10311 size=1 isValid=true] created and associated with null test 0: !Structure [IFDStructure 130 id=56 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 588 id=AB2226_x.cif size=1 isValid=true] test 0: ! WARNING: 56/56-X-ray/AB2226_x.cif property IFD.property.structure.molecular_formula can't set value 'H 24 C 22 N 6 O 6 Cu 1', as it is already set to 'H 26 C 16 N 4 O 8 Cu 1' from 56/56.cdxml -- Extractor.setPropertyIfNotAlreadySet Archive test 0: !Structure [IFDStructure 134 id=57 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 134 id=57 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 589 id=AB2212_x.cif size=1 isValid=true] test 0: ! WARNING: 57/57-x-ray/AB2212_x.cif property IFD.property.structure.molecular_formula can't set value 'H 40 C 38 N 6 O 8 Ni 1', as it is already set to 'H 42 C 32 N 4 O 10 Ni 1' from 57/57.cdxml -- Extractor.setPropertyIfNotAlreadySet Archive test 0: !Structure [IFDStructure 138 id=58 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 138 id=58 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 590 id=AB2237_x.cif size=1 isValid=true] test 0: ! WARNING: 58/58-X-ray/AB2237_x.cif property IFD.property.structure.molecular_formula can't set value 'H 32 C 34 N 6 O 6 Ni 1', as it is already set to 'H 34 C 28 N 4 O 8 Ni 1' from 58/58.cdxml -- Extractor.setPropertyIfNotAlreadySet Archive test 0: !Structure [IFDStructure 142 id=60 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 142 id=60 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 591 id=AB2241_x.cif size=1 isValid=true] test 0: ! WARNING: 60/60-X-ray/AB2241_x.cif property IFD.property.structure.molecular_formula can't set value 'H 24 C 22 N 6 O 6 Ni 1', as it is already set to 'H 26 C 16 N 4 O 8 Ni 1' from 60/60.cdxml -- Extractor.setPropertyIfNotAlreadySet Archive test 0: !Structure [IFDStructure 146 id=61 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 146 id=61 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 592 id=AB2223_x.cif size=1 isValid=true] test 0: ! WARNING: 61/61-X-Ray/AB2223_x.cif property IFD.property.structure.molecular_formula can't set value 'H 52 C 56 N 8 O 16 Na 3 La 2', as it is already set to 'H 60 C 56 N 8 O 16 La 1' from 61/61.cdxml -- Extractor.setPropertyIfNotAlreadySet Archive test 0: !Structure [IFDStructure 150 id=62 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 150 id=62 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 593 id=AB2151_x.cif size=1 isValid=true] test 0: ! WARNING: 62/62-X-Ray/AB2151_x.cif property IFD.property.structure.molecular_formula can't set value 'H 41 C 38 N 6 O 11 La 1', as it is already set to 'H 35 C 36 N 6 O 11 La 1' from 62/62.cdxml -- Extractor.setPropertyIfNotAlreadySet Archive test 0: !Structure [IFDStructure 154 id=65 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 154 id=65 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 594 id=AB2222_x.cif size=1 isValid=true] test 0: ! WARNING: 65/65-X-ray/AB2222_x.cif property IFD.property.structure.molecular_formula can't set value 'H 52 C 56 N 8 O 16 Na 3 Dy 2', as it is already set to 'H 60 C 56 N 8 O 16 Dy 1' from 65/65.cdxml -- Extractor.setPropertyIfNotAlreadySet Archive test 0: !Structure [IFDStructure 158 id=66 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 158 id=66 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 595 id=AB2202_x.cif size=1 isValid=true] test 0: ! WARNING: 66/66-X-ray/AB2202_x.cif property IFD.property.structure.molecular_formula can't set value 'H 37 C 36 N 6 O 11 Dy 1', as it is already set to 'H 33 C 36 N 6 O 9 Dy 1' from 66/66.cdxml -- Extractor.setPropertyIfNotAlreadySet Archive test 0: !Structure [IFDStructure 162 id=70 size=2 isValid=true] created and associated with null test 0: !Structure [IFDStructure 162 id=70 size=7 isValid=true] created and associated with [FAIRSpecXRAYData 596 id=AB2205_x.cif size=1 isValid=true] test 0: ! WARNING: 70/70-X-ray/AB2205_x.cif property IFD.property.structure.molecular_formula can't set value 'H 41 C 38 N 6 O 11 Yb 1', as it is already set to 'H 33 C 36 N 6 O 9 Yb 1' from 70/70.cdxml -- Extractor.setPropertyIfNotAlreadySet Archive test 0: !Structure [IFDStructure 166 id=73 size=1 isValid=true] created and associated with null test 0: !Structure [IFDStructure 166 id=73 size=3 isValid=true] created and associated with [FAIRSpecXRAYData 597 id=AB2301.cif size=1 isValid=true] test 0: ! WARNING: 73/73-x-ray/AB2301.cif property IFD.property.structure.molecular_formula can't set value 'H 70 C 60 N 8 O 23 U 2', as it is already set to 'H 76 C 44 N 4 O 13 U 1' from 73/73.cdxml -- Extractor.setPropertyIfNotAlreadySet Archive test 0: !Structure [IFDStructure 170 id=74 size=1 isValid=true] created and associated with null test 0: !Structure [IFDStructure 170 id=74 size=6 isValid=true] created and associated with [FAIRSpecXRAYData 598 id=LBTML2.cif size=1 isValid=true] test 0: ! WARNING: 74/74-x-ray/LBTML2.cif property IFD.property.structure.molecular_formula can't set value 'H 27 C 29 N 5 O 8 U 1', as it is already set to 'H 44 C 32 N 5 O 9 U 1' from 74/74.cdxml -- Extractor.setPropertyIfNotAlreadySet Archive test 0: !Structure [IFDStructure 218 id=AB2307.cif size=1 isValid=true] created and associated with [FAIRSpecXRAYData 599 id=AB2307.cif size=1 isValid=true] test 0: !Structure [IFDStructure 174 id=76 size=1 isValid=true] created and associated with null test 0: !Structure [IFDStructure 174 id=76 size=6 isValid=true] created and associated with [FAIRSpecXRAYData 600 id=LB-UO2L4.cif size=1 isValid=true] test 0: ! WARNING: 76/76-x-ray/LB-UO2L4.cif property IFD.property.structure.molecular_formula can't set value 'H 19 C 17 N 5 O 8 U 1', as it is already set to 'H 29 C 17 N 5 O 8 U 1' from 76/76.cdxml -- Extractor.setPropertyIfNotAlreadySet Archive test 0: !Phase 2d check for ignored files test 0: Phase 2.4 checking zip directory: 1 5/ test 0: Phase 2.4 checking zip directory: 2 5/5-13C in dmso-d6/ test 0: Phase 2.4 checking zip directory: 4 5/5-1H in dmso-d6/ test 0: Phase 2.4 checking zip directory: 6 5/5-X-ray/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 9 5/5-IR/ test 0: Phase 2.4 checking zip directory: 12 5/5-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 6 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 8 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 9 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 31 6/ test 0: Phase 2.4 checking zip directory: 33 6/6-cosy in CDCl3/ test 0: Phase 2.4 checking zip directory: 35 6/6-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 36 6/6-IR/ test 0: Phase 2.4 checking zip directory: 39 6/6-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 40 6/6-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 41 6/6-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 42 6/6-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 44 6/6-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 7 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 9 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/1/ test 0: Phase 2.4 checking zip directory: 74 8/ test 0: Phase 2.4 checking zip directory: 75 8/8-IR/ test 0: Phase 2.4 checking zip directory: 78 8/8-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 80 8/8-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 81 8/8-hmqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 82 8/8-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 84 8/8-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 86 8/8-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 87 8/8-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 8 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 7 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 113 9/ test 0: Phase 2.4 checking zip directory: 114 9/9-enol-HMBC/ test 0: Phase 2.4 checking zip directory: 115 9/9-enol-13C/ test 0: Phase 2.4 checking zip directory: 116 9/9-IR/ test 0: Phase 2.4 checking zip directory: 118 9/9-enol-HSQC/ test 0: Phase 2.4 checking zip directory: 119 9/9-keto-13C/ test 0: Phase 2.4 checking zip directory: 120 9/9-enol-1H/ test 0: Phase 2.4 checking zip directory: 124 9/9-enol-HMQC/ test 0: Phase 2.4 checking zip directory: 126 9/9-enol-cosy/ test 0: Phase 2.4 checking zip directory: 127 9/9-enolHMBC/ test 0: Phase 2.4 checking zip directory: 129 9/9-keto-1H/ test 0: Phase 2.4 checking zip directory: 7 9/9-keto-1H/9-keto form 1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 9/9-keto-1H/9-keto form 1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 9/9-enol-1H/9-enol form 1H.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-1H/9-enol form 1H.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-keto-13C/9-keto form 13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-keto-13C/9-keto form 13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-13C/9-enol form 13C.zip|13/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-13C/9-enol form 13C.zip|13/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/1/ test 0: Phase 2.4 checking zip directory: 159 10/ test 0: Phase 2.4 checking zip directory: 160 10/10-cosy in CDCl3/ test 0: Phase 2.4 checking zip directory: 162 10/10-IR/ test 0: Phase 2.4 checking zip directory: 163 10/10-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 164 10/10-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 167 10/10-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 169 10/10-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 170 10/10-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 172 10/10-hmqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 173 10/10-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 7 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 9 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 203 11/ test 0: Phase 2.4 checking zip directory: 204 11/11-IR/ test 0: Phase 2.4 checking zip directory: 205 11/11-1H/ test 0: Phase 2.4 checking zip directory: 206 11/11-cosy/ test 0: Phase 2.4 checking zip directory: 209 11/11-hsqc/ test 0: Phase 2.4 checking zip directory: 210 11/11-X-ray/ test 0: Phase 2.4 checking zip directory: 213 11/11-hmbc/ test 0: Phase 2.4 checking zip directory: 215 11/11-13C/ test 0: Phase 2.4 checking zip directory: 8 11/11-13C/11-13C.zip|63/pdata/ test 0: Phase 2.4 checking zip directory: 9 11/11-13C/11-13C.zip|63/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 11/11-hmbc/11-hmbc.zip|64/pdata/ test 0: Phase 2.4 checking zip directory: 8 11/11-hmbc/11-hmbc.zip|64/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 11/11-1H/11-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 8 11/11-1H/11-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 238 12/ test 0: Phase 2.4 checking zip directory: 239 12/12-hmbc/ test 0: Phase 2.4 checking zip directory: 240 12/12-hsqc/ test 0: Phase 2.4 checking zip directory: 244 12/12-1H/ test 0: Phase 2.4 checking zip directory: 245 12/12-X-ray/ test 0: Phase 2.4 checking zip directory: 246 12/12-cosy/ test 0: Phase 2.4 checking zip directory: 247 12/12-13C/ test 0: Phase 2.4 checking zip directory: 248 12/12-IR/ test 0: Phase 2.4 checking zip directory: 7 12/12-13C/12-13C.zip|73/pdata/ test 0: Phase 2.4 checking zip directory: 8 12/12-13C/12-13C.zip|73/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 12/12-1H/12-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 7 12/12-1H/12-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 273 14/ test 0: Phase 2.4 checking zip directory: 274 14/14-1H/ test 0: Phase 2.4 checking zip directory: 275 14/14-IR/ test 0: Phase 2.4 checking zip directory: 276 14/14-hsqc/ test 0: Phase 2.4 checking zip directory: 278 14/14-hmbc/ test 0: Phase 2.4 checking zip directory: 279 14/14-cosy/ test 0: Phase 2.4 checking zip directory: 282 14/14-13C/ test 0: Phase 2.4 checking zip directory: 285 14/14-X-ray/ test 0: Phase 2.4 checking zip directory: 7 14/14-13C/14-13C.zip|93/pdata/ test 0: Phase 2.4 checking zip directory: 8 14/14-13C/14-13C.zip|93/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 14/14-1H/14-1H.zip|90/pdata/ test 0: Phase 2.4 checking zip directory: 7 14/14-1H/14-1H.zip|90/pdata/1/ test 0: Phase 2.4 checking zip directory: 308 15/ test 0: Phase 2.4 checking zip directory: 309 15/15-IR/ test 0: Phase 2.4 checking zip directory: 310 15/15-1H/ test 0: Phase 2.4 checking zip directory: 313 15/15-X-ray/ test 0: Phase 2.4 checking zip directory: 314 15/15-solvate-X-ray/ test 0: Phase 2.4 checking zip directory: 316 15/15-13C/ test 0: Phase 2.4 checking zip directory: 8 15/15-13C/15b-13C.zip|32/pdata/ test 0: Phase 2.4 checking zip directory: 9 15/15-13C/15b-13C.zip|32/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/ test 0: Phase 2.4 checking zip directory: 8 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/ test 0: Phase 2.4 checking zip directory: 8 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/1/ test 0: Phase 2.4 checking zip directory: 334 16/ test 0: Phase 2.4 checking zip directory: 337 16/16-hmbc/ test 0: Phase 2.4 checking zip directory: 340 16/16-1H/ test 0: Phase 2.4 checking zip directory: 341 16/16-13C/ test 0: Phase 2.4 checking zip directory: 342 16/16-X-ray/ test 0: Phase 2.4 checking zip directory: 344 16/16-IR/ test 0: Phase 2.4 checking zip directory: 345 16/16-hsqc/ test 0: Phase 2.4 checking zip directory: 8 16/16-13C/16-13C.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 9 16/16-13C/16-13C.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 16/16-1H/16-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 16/16-1H/16-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 364 17/ test 0: Phase 2.4 checking zip directory: 367 17/17-cosy/ test 0: Phase 2.4 checking zip directory: 369 17/17-hmbc/ test 0: Phase 2.4 checking zip directory: 370 17/17-X-ray/ test 0: Phase 2.4 checking zip directory: 371 17/17-hsqc/ test 0: Phase 2.4 checking zip directory: 372 17/17-IR/ test 0: Phase 2.4 checking zip directory: 374 17/17-13C/ test 0: Phase 2.4 checking zip directory: 375 17/17-1H/ test 0: Phase 2.4 checking zip directory: 7 17/17-1H/17-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 8 17/17-1H/17-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 9 17/17-13C/17-13C.zip|1/pdata/ test 0: Phase 2.4 checking zip directory: 10 17/17-13C/17-13C.zip|1/pdata/1/ test 0: Phase 2.4 checking zip directory: 399 18/ test 0: Phase 2.4 checking zip directory: 400 18/18-X-ray/ test 0: Phase 2.4 checking zip directory: 401 18/18-hsqc/ test 0: Phase 2.4 checking zip directory: 403 18/18-13C/ test 0: Phase 2.4 checking zip directory: 405 18/18-hmbc/ test 0: Phase 2.4 checking zip directory: 407 18/18-1H/ test 0: Phase 2.4 checking zip directory: 408 18/18-IR/ test 0: Phase 2.4 checking zip directory: 6 18/18-1H/18-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 7 18/18-1H/18-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 18/18-13C/18-13C.zip|71/pdata/ test 0: Phase 2.4 checking zip directory: 9 18/18-13C/18-13C.zip|71/pdata/1/ test 0: Phase 2.4 checking zip directory: 429 19/ test 0: Phase 2.4 checking zip directory: 431 19/19-hsqc/ test 0: Phase 2.4 checking zip directory: 434 19/19-13C/ test 0: Phase 2.4 checking zip directory: 436 19/19-X-ray/ test 0: Phase 2.4 checking zip directory: 437 19/19-hmbc/ test 0: Phase 2.4 checking zip directory: 438 19/19-IR/ test 0: Phase 2.4 checking zip directory: 439 19/19-1H/ test 0: Phase 2.4 checking zip directory: 6 19/19-1H/19-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 19/19-1H/19-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 19/19-13C/19-13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 19/19-13C/19-13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 459 20/ test 0: Phase 2.4 checking zip directory: 460 20/20-1H/ test 0: Phase 2.4 checking zip directory: 461 20/20-13C/ test 0: Phase 2.4 checking zip directory: 463 20/20-IR/ test 0: Phase 2.4 checking zip directory: 465 20/20-X-ray/ test 0: Phase 2.4 checking zip directory: 467 20/20-hmbc/ test 0: Phase 2.4 checking zip directory: 468 20/20-hsqc/ test 0: Phase 2.4 checking zip directory: 7 20/20-13C/20-13C.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 8 20/20-13C/20-13C.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 20/20-1H/20-1H.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 20/20-1H/20-1H.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 489 21/ test 0: Phase 2.4 checking zip directory: 490 21/21-13C/ test 0: Phase 2.4 checking zip directory: 492 21/21-IR/ test 0: 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zip directory: 537 24/24-cosy/ test 0: Phase 2.4 checking zip directory: 7 24/24-13C/24-13C.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 24/24-13C/24-13C.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 24/24-1H/24-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 24/24-1H/24-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 24/24-hmbc/24-hmbc.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 9 24/24-hmbc/24-hmbc.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 560 25/ test 0: Phase 2.4 checking zip directory: 562 25/25-X-ray/ test 0: Phase 2.4 checking zip directory: 563 25/25-IR/ test 0: Phase 2.4 checking zip directory: 565 25/25-1H/ test 0: Phase 2.4 checking zip directory: 566 25/25-hmbc/ test 0: Phase 2.4 checking zip directory: 567 25/25-13C/ test 0: Phase 2.4 checking zip directory: 568 25/25-hsqc/ test 0: Phase 2.4 checking zip directory: 572 25/25-cosy/ test 0: Phase 2.4 checking zip directory: 8 25/25-13C/25-13C.zip|73/pdata/ test 0: Phase 2.4 checking zip directory: 9 25/25-13C/25-13C.zip|73/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 25/25-1H/25-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 8 25/25-1H/25-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 595 28/ test 0: Phase 2.4 checking zip directory: 596 28/28-hmbc/ test 0: Phase 2.4 checking zip directory: 598 28/28-hsqc/ test 0: Phase 2.4 checking zip directory: 599 28/28-1H/ test 0: Phase 2.4 checking zip directory: 601 28/28-X-ray/ test 0: Phase 2.4 checking zip directory: 603 28/28-IR/ test 0: Phase 2.4 checking zip directory: 604 28/28-13C/ test 0: Phase 2.4 checking zip directory: 8 28/28-13C/28-13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 28/28-13C/28-13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 28/28-1H/28-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 28/28-1H/28-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 625 33/ test 0: Phase 2.4 checking zip directory: 628 33/33-acetone-d6/ test 0: Phase 2.4 checking zip directory: 629 33/33-CDCl3/ test 0: Phase 2.4 checking zip directory: 631 33/33-x-ray/ test 0: Phase 2.4 checking zip directory: 632 33/33-IR/ test 0: Phase 2.4 checking zip directory: 636 33/33-CDCl3/33-in CDCl3 hmbc/ test 0: Phase 2.4 checking zip directory: 637 33/33-CDCl3/33-in CDCl3 13C/ test 0: Phase 2.4 checking zip directory: 639 33/33-CDCl3/33-in CDCl3 1H/ test 0: Phase 2.4 checking zip directory: 640 33/33-CDCl3/33-in CDCl3 hmqc/ test 0: Phase 2.4 checking zip directory: 641 33/33-CDCl3/33-in CDCl3 cosy/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 662 33/33-acetone-d6/33-in acetone-d6 13C/ test 0: Phase 2.4 checking zip directory: 663 33/33-acetone-d6/33-in acetone-d6 hmbc/ test 0: Phase 2.4 checking zip directory: 664 33/33-acetone-d6/33-in acetone-d6 1H/ test 0: Phase 2.4 checking zip directory: 666 33/33-acetone-d6/33-in acetone-d6 hmqc/ test 0: Phase 2.4 checking zip directory: 6 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/ test 0: Phase 2.4 checking zip directory: 7 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/ test 0: Phase 2.4 checking zip directory: 8 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/1/ test 0: Phase 2.4 checking zip directory: 683 34/ test 0: Phase 2.4 checking zip directory: 685 34/34-IR/ test 0: Phase 2.4 checking zip directory: 689 34/34-X-Ray/ test 0: Phase 2.4 checking zip directory: 690 34/34-NMR-acetone-d6/ test 0: Phase 2.4 checking zip directory: 691 34/34-NMR-CDCl3/ test 0: Phase 2.4 checking zip directory: 692 34/34-NMR-CDCl3/34-in CDCl3 hmbc/ test 0: Phase 2.4 checking zip directory: 693 34/34-NMR-CDCl3/34-in CDCl3 13C/ test 0: Phase 2.4 checking zip directory: 695 34/34-NMR-CDCl3/34-in CDCl3 hsqc/ test 0: Phase 2.4 checking zip directory: 696 34/34-NMR-CDCl3/34-in CDCl3 1H/ test 0: Phase 2.4 checking zip directory: 697 34/34-NMR-CDCl3/34-in CDCl3 cosy/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/1/ test 0: Phase 2.4 checking zip directory: 719 34/34-NMR-acetone-d6/34-in acetone-d6 13C/ test 0: Phase 2.4 checking zip directory: 720 34/34-NMR-acetone-d6/34-in acetone-d6 1H/ test 0: Phase 2.4 checking zip directory: 721 34/34-NMR-acetone-d6/34-in acetone-d6 hmbc/ test 0: Phase 2.4 checking zip directory: 722 34/34-NMR-acetone-d6/34-in acetone-d6 hsqc/ test 0: Phase 2.4 checking zip directory: 6 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/ test 0: Phase 2.4 checking zip directory: 7 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/1/ test 0: Phase 2.4 checking zip directory: 741 37/ test 0: Phase 2.4 checking zip directory: 745 37/37-13C/ test 0: Phase 2.4 checking zip directory: 746 37/37-cosy/ test 0: Phase 2.4 checking zip directory: 747 37/37-X-ray/ test 0: Phase 2.4 checking zip directory: 749 37/37-hmbc/ test 0: Phase 2.4 checking zip directory: 750 37/37-IR/ test 0: Phase 2.4 checking zip directory: 752 37/37-hsqc/ test 0: Phase 2.4 checking zip directory: 753 37/37-1H/ test 0: Phase 2.4 checking zip directory: 6 37/37-1H/37-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 37/37-1H/37-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 37/37-cosy/37-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 37/37-cosy/37-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 37/37-13C/37-3C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 9 37/37-13C/37-3C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 776 38/ test 0: Phase 2.4 checking zip directory: 777 38/38-X-ray/ test 0: Phase 2.4 checking zip directory: 779 38/38-hmbc/ test 0: Phase 2.4 checking zip directory: 782 38/38-hmqc/ test 0: Phase 2.4 checking zip directory: 783 38/38-cosy/ test 0: Phase 2.4 checking zip directory: 784 38/38-1H/ test 0: Phase 2.4 checking zip directory: 786 38/38-IR/ test 0: Phase 2.4 checking zip directory: 788 38/38-13C/ test 0: Phase 2.4 checking zip directory: 7 38/38-13C/38-13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-13C/38-13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 38/38-1H/38-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 38/38-1H/38-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 38/38-cosy/38-cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-cosy/38-cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 38/38-hmbc/38-hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-hmbc/38-hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 811 39/ test 0: Phase 2.4 checking zip directory: 815 39/39-X-ray/ test 0: Phase 2.4 checking zip directory: 817 39/39-hmbc/ test 0: Phase 2.4 checking zip directory: 818 39/39b-X-ray/ test 0: Phase 2.4 checking zip directory: 819 39/39-IR/ test 0: Phase 2.4 checking zip directory: 820 39/39-1H/ test 0: Phase 2.4 checking zip directory: 821 39/39-cosy/ test 0: Phase 2.4 checking zip directory: 822 39/39-hmqc/ test 0: Phase 2.4 checking zip directory: 824 39/39-13C/ test 0: Phase 2.4 checking zip directory: 8 39/39-13C/39-13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 9 39/39-13C/39-13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-cosy/39-cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-cosy/39-cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-1H/39-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-1H/39-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-hmbc/39-hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-hmbc/39-hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 848 40/ test 0: Phase 2.4 checking zip directory: 849 40/40-IR/ test 0: Phase 2.4 checking zip directory: 850 40/40-1H/ test 0: Phase 2.4 checking zip directory: 851 40/40-X-ray/ test 0: Phase 2.4 checking zip directory: 854 40/40-13C/ test 0: Phase 2.4 checking zip directory: 856 40/40-cosy/ test 0: Phase 2.4 checking zip directory: 857 40/40-hmqc/ test 0: Phase 2.4 checking zip directory: 859 40/40-hmbc/ test 0: Phase 2.4 checking zip directory: 7 40/40-hmbc/40-hmbc.zip|24/pdata/ test 0: Phase 2.4 checking zip directory: 8 40/40-hmbc/40-hmbc.zip|24/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 40/40-cosy/40-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 40/40-cosy/40-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 40/40-13C/40-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 9 40/40-13C/40-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 40/40-1H/40-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 40/40-1H/40-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 883 42/ test 0: Phase 2.4 checking zip directory: 884 42/42-X-ray/ test 0: Phase 2.4 checking zip directory: 889 42/42-IR/ test 0: Phase 2.4 checking zip directory: 892 46/ test 0: Phase 2.4 checking zip directory: 894 46/46-X-ray/ test 0: Phase 2.4 checking zip directory: 897 46/46-IR/ test 0: Phase 2.4 checking zip directory: 901 49/ test 0: Phase 2.4 checking zip directory: 902 49/49-hmbc/ test 0: Phase 2.4 checking zip directory: 905 49/49-hsqc/ test 0: Phase 2.4 checking zip directory: 907 49/49-1H/ test 0: Phase 2.4 checking zip directory: 908 49/49-13C/ test 0: Phase 2.4 checking zip directory: 909 49/49-IR/ test 0: Phase 2.4 checking zip directory: 911 49/49-X-ray/ test 0: Phase 2.4 checking zip directory: 912 49/49-cosy/ test 0: Phase 2.4 checking zip directory: 7 49/49-13C/49-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 8 49/49-13C/49-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 49/49-1H/49-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 49/49-1H/49-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 937 50/ test 0: Phase 2.4 checking zip directory: 938 50/50-IR/ test 0: Phase 2.4 checking zip directory: 939 50/50-1H/ test 0: Phase 2.4 checking zip directory: 940 50/50-cosy/ test 0: Phase 2.4 checking zip directory: 941 50/50-13C/ test 0: Phase 2.4 checking zip directory: 944 50/50-hsqc/ test 0: Phase 2.4 checking zip directory: 945 50/50-X-ray/ test 0: Phase 2.4 checking zip directory: 946 50/50-hmbc/ test 0: Phase 2.4 checking zip directory: 7 50/50-13C/50-13C.zip|63/pdata/ test 0: Phase 2.4 checking zip directory: 8 50/50-13C/50-13C.zip|63/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 50/50-1H/50-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 7 50/50-1H/50-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 972 53/ test 0: Phase 2.4 checking zip directory: 976 53/53-IR/ test 0: Phase 2.4 checking zip directory: 977 53/53-X-ray/ test 0: Phase 2.4 checking zip directory: 981 54/ test 0: Phase 2.4 checking zip directory: 983 54/54-IR/ test 0: Phase 2.4 checking zip directory: 985 54/54-X-ray/ test 0: Phase 2.4 checking zip directory: 990 55/ test 0: Phase 2.4 checking zip directory: 991 55/55-IR/ test 0: Phase 2.4 checking zip directory: 995 55/55-X-ray/ test 0: Phase 2.4 checking zip directory: 999 56/ test 0: Phase 2.4 checking zip directory: 1002 56/56-X-ray/ test 0: Phase 2.4 checking zip directory: 1004 56/56-IR/ test 0: Phase 2.4 checking zip directory: 1006 56/56-comp/ test 0: Phase 2.4 checking zip directory: 1007 56/56-comp/10292/ test 0: Phase 2.4 checking zip directory: 1008 56/56-comp/10323/ test 0: Phase 2.4 checking zip directory: 1009 56/56-comp/10311/ test 0: Phase 2.4 checking zip directory: 1024 57/ test 0: Phase 2.4 checking zip directory: 1029 57/57-x-ray/ test 0: Phase 2.4 checking zip directory: 1030 57/57-IR/ test 0: Phase 2.4 checking zip directory: 1033 58/ test 0: Phase 2.4 checking zip directory: 1037 58/58-X-ray/ test 0: Phase 2.4 checking zip directory: 1038 58/58-IR/ test 0: Phase 2.4 checking zip directory: 1042 60/ test 0: Phase 2.4 checking zip directory: 1043 60/60-X-ray/ test 0: Phase 2.4 checking zip directory: 1044 60/60-IR/ test 0: Phase 2.4 checking zip directory: 1051 61/ test 0: Phase 2.4 checking zip directory: 1052 61/61-1H/ test 0: Phase 2.4 checking zip directory: 1055 61/61-IR/ test 0: Phase 2.4 checking zip directory: 1056 61/61-cosy/ test 0: Phase 2.4 checking zip directory: 1057 61/61-X-Ray/ test 0: Phase 2.4 checking zip directory: 1058 61/61-hmqc/ test 0: Phase 2.4 checking zip directory: 1060 61/61-hmbc/ test 0: Phase 2.4 checking zip directory: 1061 61/61-13C/ test 0: Phase 2.4 checking zip directory: 7 61/61-13C/61-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 8 61/61-13C/61-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 61/61-hmbc/61-hmbc.zip|25/pdata/ test 0: Phase 2.4 checking zip directory: 9 61/61-hmbc/61-hmbc.zip|25/pdata/1/ test 0: Phase 2.4 checking zip directory: 9 61/61-hmqc/61-hmqc.zip|24/pdata/ test 0: Phase 2.4 checking zip directory: 10 61/61-hmqc/61-hmqc.zip|24/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 61/61-cosy/61-cosy.zip|22/pdata/ test 0: Phase 2.4 checking zip directory: 9 61/61-cosy/61-cosy.zip|22/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 61/61-1H/61-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 61/61-1H/61-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 1086 62/ test 0: Phase 2.4 checking zip directory: 1089 62/62-X-Ray/ test 0: Phase 2.4 checking zip directory: 1091 62/62-hmbc/ test 0: Phase 2.4 checking zip directory: 1092 62/62-13C/ test 0: Phase 2.4 checking zip directory: 1094 62/62-cosy/ test 0: Phase 2.4 checking zip directory: 1095 62/62-hmqc/ test 0: Phase 2.4 checking zip directory: 1096 62/62-IR/ test 0: Phase 2.4 checking zip directory: 1098 62/62-1H/ test 0: Phase 2.4 checking zip directory: 7 62/62-1H/62-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 62/62-1H/62-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 62/62-cosy/62-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 62/62-cosy/62-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 62/62-13C/62-13C.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 9 62/62-13C/62-13C.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 1121 65/ test 0: Phase 2.4 checking zip directory: 1123 65/65-IR/ test 0: Phase 2.4 checking zip directory: 1125 65/65-X-ray/ test 0: Phase 2.4 checking zip directory: 1130 66/ test 0: Phase 2.4 checking zip directory: 1131 66/66-X-ray/ test 0: Phase 2.4 checking zip directory: 1136 66/66-IR/ test 0: Phase 2.4 checking zip directory: 1139 70/ test 0: Phase 2.4 checking zip directory: 1141 70/70-IR/ test 0: Phase 2.4 checking zip directory: 1143 70/70-X-ray/ test 0: Phase 2.4 checking zip directory: 1148 73/ test 0: Phase 2.4 checking zip directory: 1151 73/73-x-ray/ test 0: Phase 2.4 checking zip directory: 1153 74/ test 0: Phase 2.4 checking zip directory: 1155 74/74-x-ray/ test 0: Phase 2.4 checking zip directory: 1158 75/ test 0: Phase 2.4 checking zip directory: 1159 75/75-x-ray/ test 0: Phase 2.4 checking zip directory: 1161 76/ test 0: Phase 2.4 checking zip directory: 1163 76/76-x-ray/ test 0: Phase 2.4 checking zip directory: 1 5/ test 0: Phase 2.4 checking zip directory: 2 5/5-13C in dmso-d6/ test 0: Phase 2.4 checking zip directory: 4 5/5-1H in dmso-d6/ test 0: Phase 2.4 checking zip directory: 6 5/5-X-ray/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 9 5/5-IR/ test 0: Phase 2.4 checking zip directory: 12 5/5-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 6 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 8 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 9 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 31 6/ test 0: Phase 2.4 checking zip directory: 33 6/6-cosy in CDCl3/ test 0: Phase 2.4 checking zip directory: 35 6/6-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 36 6/6-IR/ test 0: Phase 2.4 checking zip directory: 39 6/6-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 40 6/6-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 41 6/6-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 42 6/6-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 44 6/6-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 7 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 9 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/1/ test 0: Phase 2.4 checking zip directory: 74 8/ test 0: Phase 2.4 checking zip directory: 75 8/8-IR/ test 0: Phase 2.4 checking zip directory: 78 8/8-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 80 8/8-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 81 8/8-hmqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 82 8/8-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 84 8/8-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 86 8/8-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 87 8/8-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 8 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 7 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 113 9/ test 0: Phase 2.4 checking zip directory: 114 9/9-enol-HMBC/ test 0: Phase 2.4 checking zip directory: 115 9/9-enol-13C/ test 0: Phase 2.4 checking zip directory: 116 9/9-IR/ test 0: Phase 2.4 checking zip directory: 118 9/9-enol-HSQC/ test 0: Phase 2.4 checking zip directory: 119 9/9-keto-13C/ test 0: Phase 2.4 checking zip directory: 120 9/9-enol-1H/ test 0: Phase 2.4 checking zip directory: 124 9/9-enol-HMQC/ test 0: Phase 2.4 checking zip directory: 126 9/9-enol-cosy/ test 0: Phase 2.4 checking zip directory: 127 9/9-enolHMBC/ test 0: Phase 2.4 checking zip directory: 129 9/9-keto-1H/ test 0: Phase 2.4 checking zip directory: 7 9/9-keto-1H/9-keto form 1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 9/9-keto-1H/9-keto form 1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 9/9-enol-1H/9-enol form 1H.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-1H/9-enol form 1H.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-keto-13C/9-keto form 13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-keto-13C/9-keto form 13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-13C/9-enol form 13C.zip|13/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-13C/9-enol form 13C.zip|13/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/1/ test 0: Phase 2.4 checking zip directory: 159 10/ test 0: Phase 2.4 checking zip directory: 160 10/10-cosy in CDCl3/ test 0: Phase 2.4 checking zip directory: 162 10/10-IR/ test 0: Phase 2.4 checking zip directory: 163 10/10-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 164 10/10-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 167 10/10-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 169 10/10-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 170 10/10-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 172 10/10-hmqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 173 10/10-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 7 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 9 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 203 11/ test 0: Phase 2.4 checking zip directory: 204 11/11-IR/ test 0: Phase 2.4 checking zip directory: 205 11/11-1H/ test 0: Phase 2.4 checking zip directory: 206 11/11-cosy/ test 0: Phase 2.4 checking zip directory: 209 11/11-hsqc/ test 0: Phase 2.4 checking zip directory: 210 11/11-X-ray/ test 0: Phase 2.4 checking zip directory: 213 11/11-hmbc/ test 0: Phase 2.4 checking zip directory: 215 11/11-13C/ test 0: Phase 2.4 checking zip directory: 8 11/11-13C/11-13C.zip|63/pdata/ test 0: Phase 2.4 checking zip directory: 9 11/11-13C/11-13C.zip|63/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 11/11-hmbc/11-hmbc.zip|64/pdata/ test 0: Phase 2.4 checking zip directory: 8 11/11-hmbc/11-hmbc.zip|64/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 11/11-1H/11-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 8 11/11-1H/11-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 238 12/ test 0: Phase 2.4 checking zip directory: 239 12/12-hmbc/ test 0: Phase 2.4 checking zip directory: 240 12/12-hsqc/ test 0: Phase 2.4 checking zip directory: 244 12/12-1H/ test 0: Phase 2.4 checking zip directory: 245 12/12-X-ray/ test 0: Phase 2.4 checking zip directory: 246 12/12-cosy/ test 0: Phase 2.4 checking zip directory: 247 12/12-13C/ test 0: Phase 2.4 checking zip directory: 248 12/12-IR/ test 0: Phase 2.4 checking zip directory: 7 12/12-13C/12-13C.zip|73/pdata/ test 0: Phase 2.4 checking zip directory: 8 12/12-13C/12-13C.zip|73/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 12/12-1H/12-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 7 12/12-1H/12-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 273 14/ test 0: Phase 2.4 checking zip directory: 274 14/14-1H/ test 0: Phase 2.4 checking zip directory: 275 14/14-IR/ test 0: Phase 2.4 checking zip directory: 276 14/14-hsqc/ test 0: Phase 2.4 checking zip directory: 278 14/14-hmbc/ test 0: Phase 2.4 checking zip directory: 279 14/14-cosy/ test 0: Phase 2.4 checking zip directory: 282 14/14-13C/ test 0: Phase 2.4 checking zip directory: 285 14/14-X-ray/ test 0: Phase 2.4 checking zip directory: 7 14/14-13C/14-13C.zip|93/pdata/ test 0: Phase 2.4 checking zip directory: 8 14/14-13C/14-13C.zip|93/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 14/14-1H/14-1H.zip|90/pdata/ test 0: Phase 2.4 checking zip directory: 7 14/14-1H/14-1H.zip|90/pdata/1/ test 0: Phase 2.4 checking zip directory: 308 15/ test 0: Phase 2.4 checking zip directory: 309 15/15-IR/ test 0: Phase 2.4 checking zip directory: 310 15/15-1H/ test 0: Phase 2.4 checking zip directory: 313 15/15-X-ray/ test 0: Phase 2.4 checking zip directory: 314 15/15-solvate-X-ray/ test 0: Phase 2.4 checking zip directory: 316 15/15-13C/ test 0: Phase 2.4 checking zip directory: 8 15/15-13C/15b-13C.zip|32/pdata/ test 0: Phase 2.4 checking zip directory: 9 15/15-13C/15b-13C.zip|32/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/ test 0: Phase 2.4 checking zip directory: 8 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/ test 0: Phase 2.4 checking zip directory: 8 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/1/ test 0: Phase 2.4 checking zip directory: 334 16/ test 0: Phase 2.4 checking zip directory: 337 16/16-hmbc/ test 0: Phase 2.4 checking zip directory: 340 16/16-1H/ test 0: Phase 2.4 checking zip directory: 341 16/16-13C/ test 0: Phase 2.4 checking zip directory: 342 16/16-X-ray/ test 0: Phase 2.4 checking zip directory: 344 16/16-IR/ test 0: Phase 2.4 checking zip directory: 345 16/16-hsqc/ test 0: Phase 2.4 checking zip directory: 8 16/16-13C/16-13C.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 9 16/16-13C/16-13C.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 16/16-1H/16-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 16/16-1H/16-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 364 17/ test 0: Phase 2.4 checking zip directory: 367 17/17-cosy/ test 0: Phase 2.4 checking zip directory: 369 17/17-hmbc/ test 0: Phase 2.4 checking zip directory: 370 17/17-X-ray/ test 0: Phase 2.4 checking zip directory: 371 17/17-hsqc/ test 0: Phase 2.4 checking zip directory: 372 17/17-IR/ test 0: Phase 2.4 checking zip directory: 374 17/17-13C/ test 0: Phase 2.4 checking zip directory: 375 17/17-1H/ test 0: Phase 2.4 checking zip directory: 7 17/17-1H/17-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 8 17/17-1H/17-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 9 17/17-13C/17-13C.zip|1/pdata/ test 0: Phase 2.4 checking zip directory: 10 17/17-13C/17-13C.zip|1/pdata/1/ test 0: Phase 2.4 checking zip directory: 399 18/ test 0: Phase 2.4 checking zip directory: 400 18/18-X-ray/ test 0: Phase 2.4 checking zip directory: 401 18/18-hsqc/ test 0: Phase 2.4 checking zip directory: 403 18/18-13C/ test 0: Phase 2.4 checking zip directory: 405 18/18-hmbc/ test 0: Phase 2.4 checking zip directory: 407 18/18-1H/ test 0: Phase 2.4 checking zip directory: 408 18/18-IR/ test 0: Phase 2.4 checking zip directory: 6 18/18-1H/18-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 7 18/18-1H/18-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 18/18-13C/18-13C.zip|71/pdata/ test 0: Phase 2.4 checking zip directory: 9 18/18-13C/18-13C.zip|71/pdata/1/ test 0: Phase 2.4 checking zip directory: 429 19/ test 0: Phase 2.4 checking zip directory: 431 19/19-hsqc/ test 0: Phase 2.4 checking zip directory: 434 19/19-13C/ test 0: Phase 2.4 checking zip directory: 436 19/19-X-ray/ test 0: Phase 2.4 checking zip directory: 437 19/19-hmbc/ test 0: Phase 2.4 checking zip directory: 438 19/19-IR/ test 0: Phase 2.4 checking zip directory: 439 19/19-1H/ test 0: Phase 2.4 checking zip directory: 6 19/19-1H/19-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 19/19-1H/19-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 19/19-13C/19-13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 19/19-13C/19-13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 459 20/ test 0: Phase 2.4 checking zip directory: 460 20/20-1H/ test 0: Phase 2.4 checking zip directory: 461 20/20-13C/ test 0: Phase 2.4 checking zip directory: 463 20/20-IR/ test 0: Phase 2.4 checking zip directory: 465 20/20-X-ray/ test 0: Phase 2.4 checking zip directory: 467 20/20-hmbc/ test 0: Phase 2.4 checking zip directory: 468 20/20-hsqc/ test 0: Phase 2.4 checking zip directory: 7 20/20-13C/20-13C.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 8 20/20-13C/20-13C.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 20/20-1H/20-1H.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 20/20-1H/20-1H.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 489 21/ test 0: Phase 2.4 checking zip directory: 490 21/21-13C/ test 0: Phase 2.4 checking zip directory: 492 21/21-IR/ test 0: Phase 2.4 checking zip directory: 493 21/21-X-ray/ test 0: Phase 2.4 checking zip directory: 494 21/21-1H/ test 0: Phase 2.4 checking zip directory: 495 21/21-cosy/ test 0: Phase 2.4 checking zip directory: 500 21/21-hmbc/ test 0: Phase 2.4 checking zip directory: 501 21/21-hsqc/ test 0: Phase 2.4 checking zip directory: 6 21/21-1H/21-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 7 21/21-1H/21-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 21/21-13C/21-13C.zip|1/pdata/ test 0: Phase 2.4 checking zip directory: 8 21/21-13C/21-13C.zip|1/pdata/1/ test 0: Phase 2.4 checking zip directory: 525 24/ test 0: Phase 2.4 checking zip directory: 527 24/24-hmbc/ test 0: Phase 2.4 checking zip directory: 528 24/24-1H/ test 0: Phase 2.4 checking zip directory: 530 24/24-13C/ test 0: Phase 2.4 checking zip directory: 531 24/24-IR/ test 0: Phase 2.4 checking zip directory: 532 24/24-X-ray/ test 0: Phase 2.4 checking zip directory: 533 24/24-hsqc/ test 0: Phase 2.4 checking zip directory: 537 24/24-cosy/ test 0: Phase 2.4 checking zip directory: 7 24/24-13C/24-13C.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 24/24-13C/24-13C.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 24/24-1H/24-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 24/24-1H/24-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 24/24-hmbc/24-hmbc.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 9 24/24-hmbc/24-hmbc.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 560 25/ test 0: Phase 2.4 checking zip directory: 562 25/25-X-ray/ test 0: Phase 2.4 checking zip directory: 563 25/25-IR/ test 0: Phase 2.4 checking zip directory: 565 25/25-1H/ test 0: Phase 2.4 checking zip directory: 566 25/25-hmbc/ test 0: Phase 2.4 checking zip directory: 567 25/25-13C/ test 0: Phase 2.4 checking zip directory: 568 25/25-hsqc/ test 0: Phase 2.4 checking zip directory: 572 25/25-cosy/ test 0: Phase 2.4 checking zip directory: 8 25/25-13C/25-13C.zip|73/pdata/ test 0: Phase 2.4 checking zip directory: 9 25/25-13C/25-13C.zip|73/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 25/25-1H/25-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 8 25/25-1H/25-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 595 28/ test 0: Phase 2.4 checking zip directory: 596 28/28-hmbc/ test 0: Phase 2.4 checking zip directory: 598 28/28-hsqc/ test 0: Phase 2.4 checking zip directory: 599 28/28-1H/ test 0: Phase 2.4 checking zip directory: 601 28/28-X-ray/ test 0: Phase 2.4 checking zip directory: 603 28/28-IR/ test 0: Phase 2.4 checking zip directory: 604 28/28-13C/ test 0: Phase 2.4 checking zip directory: 8 28/28-13C/28-13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 28/28-13C/28-13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 28/28-1H/28-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 28/28-1H/28-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 625 33/ test 0: Phase 2.4 checking zip directory: 628 33/33-acetone-d6/ test 0: Phase 2.4 checking zip directory: 629 33/33-CDCl3/ test 0: Phase 2.4 checking zip directory: 631 33/33-x-ray/ test 0: Phase 2.4 checking zip directory: 632 33/33-IR/ test 0: Phase 2.4 checking zip directory: 636 33/33-CDCl3/33-in CDCl3 hmbc/ test 0: Phase 2.4 checking zip directory: 637 33/33-CDCl3/33-in CDCl3 13C/ test 0: Phase 2.4 checking zip directory: 639 33/33-CDCl3/33-in CDCl3 1H/ test 0: Phase 2.4 checking zip directory: 640 33/33-CDCl3/33-in CDCl3 hmqc/ test 0: Phase 2.4 checking zip directory: 641 33/33-CDCl3/33-in CDCl3 cosy/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 662 33/33-acetone-d6/33-in acetone-d6 13C/ test 0: Phase 2.4 checking zip directory: 663 33/33-acetone-d6/33-in acetone-d6 hmbc/ test 0: Phase 2.4 checking zip directory: 664 33/33-acetone-d6/33-in acetone-d6 1H/ test 0: Phase 2.4 checking zip directory: 666 33/33-acetone-d6/33-in acetone-d6 hmqc/ test 0: Phase 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13C/34-in CDCl3 13C.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/1/ test 0: Phase 2.4 checking zip directory: 719 34/34-NMR-acetone-d6/34-in acetone-d6 13C/ test 0: Phase 2.4 checking zip directory: 720 34/34-NMR-acetone-d6/34-in acetone-d6 1H/ test 0: Phase 2.4 checking zip directory: 721 34/34-NMR-acetone-d6/34-in acetone-d6 hmbc/ test 0: Phase 2.4 checking zip directory: 722 34/34-NMR-acetone-d6/34-in acetone-d6 hsqc/ test 0: Phase 2.4 checking zip directory: 6 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/ test 0: Phase 2.4 checking zip directory: 7 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/ test 0: Phase 2.4 checking 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37/37-13C/37-3C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 776 38/ test 0: Phase 2.4 checking zip directory: 777 38/38-X-ray/ test 0: Phase 2.4 checking zip directory: 779 38/38-hmbc/ test 0: Phase 2.4 checking zip directory: 782 38/38-hmqc/ test 0: Phase 2.4 checking zip directory: 783 38/38-cosy/ test 0: Phase 2.4 checking zip directory: 784 38/38-1H/ test 0: Phase 2.4 checking zip directory: 786 38/38-IR/ test 0: Phase 2.4 checking zip directory: 788 38/38-13C/ test 0: Phase 2.4 checking zip directory: 7 38/38-13C/38-13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-13C/38-13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 38/38-1H/38-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 38/38-1H/38-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 38/38-cosy/38-cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-cosy/38-cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 38/38-hmbc/38-hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-hmbc/38-hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 811 39/ test 0: Phase 2.4 checking zip directory: 815 39/39-X-ray/ test 0: Phase 2.4 checking zip directory: 817 39/39-hmbc/ test 0: Phase 2.4 checking zip directory: 818 39/39b-X-ray/ test 0: Phase 2.4 checking zip directory: 819 39/39-IR/ test 0: Phase 2.4 checking zip directory: 820 39/39-1H/ test 0: Phase 2.4 checking zip directory: 821 39/39-cosy/ test 0: Phase 2.4 checking zip directory: 822 39/39-hmqc/ test 0: Phase 2.4 checking zip directory: 824 39/39-13C/ test 0: Phase 2.4 checking zip directory: 8 39/39-13C/39-13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 9 39/39-13C/39-13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-cosy/39-cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-cosy/39-cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-1H/39-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-1H/39-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-hmbc/39-hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-hmbc/39-hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 848 40/ test 0: Phase 2.4 checking zip directory: 849 40/40-IR/ test 0: Phase 2.4 checking zip directory: 850 40/40-1H/ test 0: Phase 2.4 checking zip directory: 851 40/40-X-ray/ test 0: Phase 2.4 checking zip directory: 854 40/40-13C/ test 0: Phase 2.4 checking zip directory: 856 40/40-cosy/ test 0: Phase 2.4 checking zip directory: 857 40/40-hmqc/ test 0: Phase 2.4 checking zip directory: 859 40/40-hmbc/ test 0: Phase 2.4 checking zip directory: 7 40/40-hmbc/40-hmbc.zip|24/pdata/ test 0: Phase 2.4 checking zip directory: 8 40/40-hmbc/40-hmbc.zip|24/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 40/40-cosy/40-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 40/40-cosy/40-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 40/40-13C/40-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 9 40/40-13C/40-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 40/40-1H/40-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 40/40-1H/40-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 883 42/ test 0: Phase 2.4 checking zip directory: 884 42/42-X-ray/ test 0: Phase 2.4 checking zip directory: 889 42/42-IR/ test 0: Phase 2.4 checking zip directory: 892 46/ test 0: Phase 2.4 checking zip directory: 894 46/46-X-ray/ test 0: Phase 2.4 checking zip directory: 897 46/46-IR/ test 0: Phase 2.4 checking zip directory: 901 49/ test 0: Phase 2.4 checking zip directory: 902 49/49-hmbc/ test 0: Phase 2.4 checking zip directory: 905 49/49-hsqc/ test 0: Phase 2.4 checking zip directory: 907 49/49-1H/ test 0: Phase 2.4 checking zip directory: 908 49/49-13C/ test 0: Phase 2.4 checking zip directory: 909 49/49-IR/ test 0: Phase 2.4 checking zip directory: 911 49/49-X-ray/ test 0: Phase 2.4 checking zip directory: 912 49/49-cosy/ test 0: Phase 2.4 checking zip directory: 7 49/49-13C/49-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 8 49/49-13C/49-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 49/49-1H/49-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 49/49-1H/49-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 937 50/ test 0: Phase 2.4 checking zip directory: 938 50/50-IR/ test 0: Phase 2.4 checking zip directory: 939 50/50-1H/ test 0: Phase 2.4 checking zip directory: 940 50/50-cosy/ test 0: Phase 2.4 checking zip directory: 941 50/50-13C/ test 0: Phase 2.4 checking zip directory: 944 50/50-hsqc/ test 0: Phase 2.4 checking zip directory: 945 50/50-X-ray/ test 0: Phase 2.4 checking zip directory: 946 50/50-hmbc/ test 0: Phase 2.4 checking zip directory: 7 50/50-13C/50-13C.zip|63/pdata/ test 0: Phase 2.4 checking zip directory: 8 50/50-13C/50-13C.zip|63/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 50/50-1H/50-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 7 50/50-1H/50-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 972 53/ test 0: Phase 2.4 checking zip directory: 976 53/53-IR/ test 0: Phase 2.4 checking zip directory: 977 53/53-X-ray/ test 0: Phase 2.4 checking zip directory: 981 54/ test 0: Phase 2.4 checking zip directory: 983 54/54-IR/ test 0: Phase 2.4 checking zip directory: 985 54/54-X-ray/ test 0: Phase 2.4 checking zip directory: 990 55/ test 0: Phase 2.4 checking zip directory: 991 55/55-IR/ test 0: Phase 2.4 checking zip directory: 995 55/55-X-ray/ test 0: Phase 2.4 checking zip directory: 999 56/ test 0: Phase 2.4 checking zip directory: 1002 56/56-X-ray/ test 0: Phase 2.4 checking zip directory: 1004 56/56-IR/ test 0: Phase 2.4 checking zip directory: 1006 56/56-comp/ test 0: Phase 2.4 checking zip directory: 1007 56/56-comp/10292/ test 0: Phase 2.4 checking zip directory: 1008 56/56-comp/10323/ test 0: Phase 2.4 checking zip directory: 1009 56/56-comp/10311/ test 0: Phase 2.4 checking zip directory: 1024 57/ test 0: Phase 2.4 checking zip directory: 1029 57/57-x-ray/ test 0: Phase 2.4 checking zip directory: 1030 57/57-IR/ test 0: Phase 2.4 checking zip directory: 1033 58/ test 0: Phase 2.4 checking zip directory: 1037 58/58-X-ray/ test 0: Phase 2.4 checking zip directory: 1038 58/58-IR/ test 0: Phase 2.4 checking zip directory: 1042 60/ test 0: Phase 2.4 checking zip directory: 1043 60/60-X-ray/ test 0: Phase 2.4 checking zip directory: 1044 60/60-IR/ test 0: Phase 2.4 checking zip directory: 1051 61/ test 0: Phase 2.4 checking zip directory: 1052 61/61-1H/ test 0: Phase 2.4 checking zip directory: 1055 61/61-IR/ test 0: Phase 2.4 checking zip directory: 1056 61/61-cosy/ test 0: Phase 2.4 checking zip directory: 1057 61/61-X-Ray/ test 0: Phase 2.4 checking zip directory: 1058 61/61-hmqc/ test 0: Phase 2.4 checking zip directory: 1060 61/61-hmbc/ test 0: Phase 2.4 checking zip directory: 1061 61/61-13C/ test 0: Phase 2.4 checking zip directory: 7 61/61-13C/61-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 8 61/61-13C/61-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 61/61-hmbc/61-hmbc.zip|25/pdata/ test 0: Phase 2.4 checking zip directory: 9 61/61-hmbc/61-hmbc.zip|25/pdata/1/ test 0: Phase 2.4 checking zip directory: 9 61/61-hmqc/61-hmqc.zip|24/pdata/ test 0: Phase 2.4 checking zip directory: 10 61/61-hmqc/61-hmqc.zip|24/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 61/61-cosy/61-cosy.zip|22/pdata/ test 0: Phase 2.4 checking zip directory: 9 61/61-cosy/61-cosy.zip|22/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 61/61-1H/61-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 61/61-1H/61-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 1086 62/ test 0: Phase 2.4 checking zip directory: 1089 62/62-X-Ray/ test 0: Phase 2.4 checking zip directory: 1091 62/62-hmbc/ test 0: Phase 2.4 checking zip directory: 1092 62/62-13C/ test 0: Phase 2.4 checking zip directory: 1094 62/62-cosy/ test 0: Phase 2.4 checking zip directory: 1095 62/62-hmqc/ test 0: Phase 2.4 checking zip directory: 1096 62/62-IR/ test 0: Phase 2.4 checking zip directory: 1098 62/62-1H/ test 0: Phase 2.4 checking zip directory: 7 62/62-1H/62-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 62/62-1H/62-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 62/62-cosy/62-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 62/62-cosy/62-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 62/62-13C/62-13C.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 9 62/62-13C/62-13C.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 1121 65/ test 0: Phase 2.4 checking zip directory: 1123 65/65-IR/ test 0: Phase 2.4 checking zip directory: 1125 65/65-X-ray/ test 0: Phase 2.4 checking zip directory: 1130 66/ test 0: Phase 2.4 checking zip directory: 1131 66/66-X-ray/ test 0: Phase 2.4 checking zip directory: 1136 66/66-IR/ test 0: Phase 2.4 checking zip directory: 1139 70/ test 0: Phase 2.4 checking zip directory: 1141 70/70-IR/ test 0: Phase 2.4 checking zip directory: 1143 70/70-X-ray/ test 0: Phase 2.4 checking zip directory: 1148 73/ test 0: Phase 2.4 checking zip directory: 1151 73/73-x-ray/ test 0: Phase 2.4 checking zip directory: 1153 74/ test 0: Phase 2.4 checking zip directory: 1155 74/74-x-ray/ test 0: Phase 2.4 checking zip directory: 1158 75/ test 0: Phase 2.4 checking zip directory: 1159 75/75-x-ray/ test 0: Phase 2.4 checking zip directory: 1161 76/ test 0: Phase 2.4 checking zip directory: 1163 76/76-x-ray/ test 0: Phase 2.4 checking zip directory: 1 5/ test 0: Phase 2.4 checking zip directory: 2 5/5-13C in dmso-d6/ test 0: Phase 2.4 checking zip directory: 4 5/5-1H in dmso-d6/ test 0: Phase 2.4 checking zip directory: 6 5/5-X-ray/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 9 5/5-IR/ test 0: Phase 2.4 checking zip directory: 12 5/5-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 6 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 8 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 9 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 31 6/ test 0: Phase 2.4 checking zip directory: 33 6/6-cosy in CDCl3/ test 0: Phase 2.4 checking zip directory: 35 6/6-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 36 6/6-IR/ test 0: Phase 2.4 checking zip directory: 39 6/6-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 40 6/6-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 41 6/6-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 42 6/6-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 44 6/6-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 7 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 9 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/1/ test 0: Phase 2.4 checking zip directory: 74 8/ test 0: Phase 2.4 checking zip directory: 75 8/8-IR/ test 0: Phase 2.4 checking zip directory: 78 8/8-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 80 8/8-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 81 8/8-hmqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 82 8/8-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 84 8/8-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 86 8/8-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 87 8/8-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 8 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 7 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 113 9/ test 0: Phase 2.4 checking zip directory: 114 9/9-enol-HMBC/ test 0: Phase 2.4 checking zip directory: 115 9/9-enol-13C/ test 0: Phase 2.4 checking zip directory: 116 9/9-IR/ test 0: Phase 2.4 checking zip directory: 118 9/9-enol-HSQC/ test 0: Phase 2.4 checking zip directory: 119 9/9-keto-13C/ test 0: Phase 2.4 checking zip directory: 120 9/9-enol-1H/ test 0: Phase 2.4 checking zip directory: 124 9/9-enol-HMQC/ test 0: Phase 2.4 checking zip directory: 126 9/9-enol-cosy/ test 0: Phase 2.4 checking zip directory: 127 9/9-enolHMBC/ test 0: Phase 2.4 checking zip directory: 129 9/9-keto-1H/ test 0: Phase 2.4 checking zip directory: 7 9/9-keto-1H/9-keto form 1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 9/9-keto-1H/9-keto form 1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 9/9-enol-1H/9-enol form 1H.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-1H/9-enol form 1H.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-keto-13C/9-keto form 13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-keto-13C/9-keto form 13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-13C/9-enol form 13C.zip|13/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-13C/9-enol form 13C.zip|13/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/1/ test 0: Phase 2.4 checking zip directory: 159 10/ test 0: Phase 2.4 checking zip directory: 160 10/10-cosy in CDCl3/ test 0: Phase 2.4 checking zip directory: 162 10/10-IR/ test 0: Phase 2.4 checking zip directory: 163 10/10-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 164 10/10-1H in CDCl3/ test 0: Phase 2.4 checking zip 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directory: 7 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 9 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 203 11/ test 0: Phase 2.4 checking zip directory: 204 11/11-IR/ test 0: Phase 2.4 checking zip directory: 205 11/11-1H/ test 0: Phase 2.4 checking zip directory: 206 11/11-cosy/ test 0: Phase 2.4 checking zip directory: 209 11/11-hsqc/ test 0: Phase 2.4 checking zip directory: 210 11/11-X-ray/ test 0: Phase 2.4 checking zip directory: 213 11/11-hmbc/ test 0: Phase 2.4 checking zip directory: 215 11/11-13C/ test 0: Phase 2.4 checking zip directory: 8 11/11-13C/11-13C.zip|63/pdata/ test 0: Phase 2.4 checking zip directory: 9 11/11-13C/11-13C.zip|63/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 11/11-hmbc/11-hmbc.zip|64/pdata/ test 0: Phase 2.4 checking zip directory: 8 11/11-hmbc/11-hmbc.zip|64/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 11/11-1H/11-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 8 11/11-1H/11-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 238 12/ test 0: Phase 2.4 checking zip directory: 239 12/12-hmbc/ test 0: Phase 2.4 checking zip directory: 240 12/12-hsqc/ test 0: Phase 2.4 checking zip directory: 244 12/12-1H/ test 0: Phase 2.4 checking zip directory: 245 12/12-X-ray/ test 0: Phase 2.4 checking zip directory: 246 12/12-cosy/ test 0: Phase 2.4 checking zip directory: 247 12/12-13C/ test 0: Phase 2.4 checking zip directory: 248 12/12-IR/ test 0: Phase 2.4 checking zip directory: 7 12/12-13C/12-13C.zip|73/pdata/ test 0: Phase 2.4 checking zip directory: 8 12/12-13C/12-13C.zip|73/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 12/12-1H/12-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 7 12/12-1H/12-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 273 14/ test 0: Phase 2.4 checking zip directory: 274 14/14-1H/ test 0: Phase 2.4 checking zip directory: 275 14/14-IR/ test 0: Phase 2.4 checking zip directory: 276 14/14-hsqc/ test 0: Phase 2.4 checking zip directory: 278 14/14-hmbc/ test 0: Phase 2.4 checking zip directory: 279 14/14-cosy/ test 0: Phase 2.4 checking zip directory: 282 14/14-13C/ test 0: Phase 2.4 checking zip directory: 285 14/14-X-ray/ test 0: Phase 2.4 checking zip directory: 7 14/14-13C/14-13C.zip|93/pdata/ test 0: Phase 2.4 checking zip directory: 8 14/14-13C/14-13C.zip|93/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 14/14-1H/14-1H.zip|90/pdata/ test 0: Phase 2.4 checking zip directory: 7 14/14-1H/14-1H.zip|90/pdata/1/ test 0: Phase 2.4 checking zip directory: 308 15/ test 0: Phase 2.4 checking zip directory: 309 15/15-IR/ test 0: Phase 2.4 checking zip directory: 310 15/15-1H/ test 0: Phase 2.4 checking zip directory: 313 15/15-X-ray/ test 0: Phase 2.4 checking zip directory: 314 15/15-solvate-X-ray/ test 0: Phase 2.4 checking zip directory: 316 15/15-13C/ test 0: Phase 2.4 checking zip directory: 8 15/15-13C/15b-13C.zip|32/pdata/ test 0: Phase 2.4 checking zip directory: 9 15/15-13C/15b-13C.zip|32/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/ test 0: Phase 2.4 checking zip directory: 8 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/ test 0: Phase 2.4 checking zip directory: 8 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/1/ test 0: Phase 2.4 checking zip directory: 334 16/ test 0: Phase 2.4 checking zip directory: 337 16/16-hmbc/ test 0: Phase 2.4 checking zip directory: 340 16/16-1H/ test 0: Phase 2.4 checking zip directory: 341 16/16-13C/ test 0: Phase 2.4 checking zip directory: 342 16/16-X-ray/ test 0: Phase 2.4 checking zip directory: 344 16/16-IR/ test 0: Phase 2.4 checking zip directory: 345 16/16-hsqc/ test 0: Phase 2.4 checking zip directory: 8 16/16-13C/16-13C.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 9 16/16-13C/16-13C.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 16/16-1H/16-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 16/16-1H/16-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 364 17/ test 0: Phase 2.4 checking zip directory: 367 17/17-cosy/ test 0: Phase 2.4 checking zip directory: 369 17/17-hmbc/ test 0: Phase 2.4 checking zip directory: 370 17/17-X-ray/ test 0: Phase 2.4 checking zip directory: 371 17/17-hsqc/ test 0: Phase 2.4 checking zip directory: 372 17/17-IR/ test 0: Phase 2.4 checking zip directory: 374 17/17-13C/ test 0: Phase 2.4 checking zip directory: 375 17/17-1H/ test 0: Phase 2.4 checking zip directory: 7 17/17-1H/17-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 8 17/17-1H/17-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 9 17/17-13C/17-13C.zip|1/pdata/ test 0: Phase 2.4 checking zip directory: 10 17/17-13C/17-13C.zip|1/pdata/1/ test 0: Phase 2.4 checking zip directory: 399 18/ test 0: Phase 2.4 checking zip directory: 400 18/18-X-ray/ test 0: Phase 2.4 checking zip directory: 401 18/18-hsqc/ test 0: Phase 2.4 checking zip directory: 403 18/18-13C/ test 0: Phase 2.4 checking zip directory: 405 18/18-hmbc/ test 0: Phase 2.4 checking zip directory: 407 18/18-1H/ test 0: Phase 2.4 checking zip directory: 408 18/18-IR/ test 0: Phase 2.4 checking zip directory: 6 18/18-1H/18-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 7 18/18-1H/18-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 18/18-13C/18-13C.zip|71/pdata/ test 0: Phase 2.4 checking zip directory: 9 18/18-13C/18-13C.zip|71/pdata/1/ test 0: Phase 2.4 checking zip directory: 429 19/ test 0: Phase 2.4 checking zip directory: 431 19/19-hsqc/ test 0: Phase 2.4 checking zip directory: 434 19/19-13C/ test 0: Phase 2.4 checking zip directory: 436 19/19-X-ray/ test 0: Phase 2.4 checking zip directory: 437 19/19-hmbc/ test 0: Phase 2.4 checking zip directory: 438 19/19-IR/ test 0: Phase 2.4 checking zip directory: 439 19/19-1H/ test 0: Phase 2.4 checking zip directory: 6 19/19-1H/19-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 19/19-1H/19-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 19/19-13C/19-13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 19/19-13C/19-13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 459 20/ test 0: Phase 2.4 checking zip directory: 460 20/20-1H/ test 0: Phase 2.4 checking zip directory: 461 20/20-13C/ test 0: Phase 2.4 checking zip directory: 463 20/20-IR/ test 0: Phase 2.4 checking zip directory: 465 20/20-X-ray/ test 0: Phase 2.4 checking zip directory: 467 20/20-hmbc/ test 0: Phase 2.4 checking zip directory: 468 20/20-hsqc/ test 0: Phase 2.4 checking zip directory: 7 20/20-13C/20-13C.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 8 20/20-13C/20-13C.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 20/20-1H/20-1H.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 20/20-1H/20-1H.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 489 21/ test 0: Phase 2.4 checking zip directory: 490 21/21-13C/ test 0: Phase 2.4 checking zip directory: 492 21/21-IR/ test 0: Phase 2.4 checking zip directory: 493 21/21-X-ray/ test 0: Phase 2.4 checking zip directory: 494 21/21-1H/ test 0: Phase 2.4 checking zip directory: 495 21/21-cosy/ test 0: Phase 2.4 checking zip directory: 500 21/21-hmbc/ test 0: Phase 2.4 checking zip directory: 501 21/21-hsqc/ test 0: Phase 2.4 checking zip directory: 6 21/21-1H/21-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 7 21/21-1H/21-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 21/21-13C/21-13C.zip|1/pdata/ test 0: Phase 2.4 checking zip directory: 8 21/21-13C/21-13C.zip|1/pdata/1/ test 0: Phase 2.4 checking zip directory: 525 24/ test 0: Phase 2.4 checking zip directory: 527 24/24-hmbc/ test 0: Phase 2.4 checking zip directory: 528 24/24-1H/ test 0: Phase 2.4 checking zip directory: 530 24/24-13C/ test 0: Phase 2.4 checking zip directory: 531 24/24-IR/ test 0: Phase 2.4 checking zip directory: 532 24/24-X-ray/ test 0: Phase 2.4 checking zip directory: 533 24/24-hsqc/ test 0: Phase 2.4 checking zip directory: 537 24/24-cosy/ test 0: Phase 2.4 checking zip directory: 7 24/24-13C/24-13C.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 24/24-13C/24-13C.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 24/24-1H/24-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 24/24-1H/24-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 24/24-hmbc/24-hmbc.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 9 24/24-hmbc/24-hmbc.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 560 25/ test 0: Phase 2.4 checking zip directory: 562 25/25-X-ray/ test 0: Phase 2.4 checking zip directory: 563 25/25-IR/ test 0: Phase 2.4 checking zip directory: 565 25/25-1H/ test 0: Phase 2.4 checking zip directory: 566 25/25-hmbc/ test 0: Phase 2.4 checking zip directory: 567 25/25-13C/ test 0: Phase 2.4 checking zip directory: 568 25/25-hsqc/ test 0: Phase 2.4 checking zip directory: 572 25/25-cosy/ test 0: Phase 2.4 checking zip directory: 8 25/25-13C/25-13C.zip|73/pdata/ test 0: Phase 2.4 checking zip directory: 9 25/25-13C/25-13C.zip|73/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 25/25-1H/25-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 8 25/25-1H/25-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 595 28/ test 0: Phase 2.4 checking zip directory: 596 28/28-hmbc/ test 0: Phase 2.4 checking zip directory: 598 28/28-hsqc/ test 0: Phase 2.4 checking zip directory: 599 28/28-1H/ test 0: Phase 2.4 checking zip directory: 601 28/28-X-ray/ test 0: Phase 2.4 checking zip directory: 603 28/28-IR/ test 0: Phase 2.4 checking zip directory: 604 28/28-13C/ test 0: Phase 2.4 checking zip directory: 8 28/28-13C/28-13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 28/28-13C/28-13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 28/28-1H/28-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 28/28-1H/28-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 625 33/ test 0: Phase 2.4 checking zip directory: 628 33/33-acetone-d6/ test 0: Phase 2.4 checking zip directory: 629 33/33-CDCl3/ test 0: Phase 2.4 checking zip directory: 631 33/33-x-ray/ test 0: Phase 2.4 checking zip directory: 632 33/33-IR/ test 0: Phase 2.4 checking zip directory: 636 33/33-CDCl3/33-in CDCl3 hmbc/ test 0: Phase 2.4 checking zip directory: 637 33/33-CDCl3/33-in CDCl3 13C/ test 0: Phase 2.4 checking zip directory: 639 33/33-CDCl3/33-in CDCl3 1H/ test 0: Phase 2.4 checking zip directory: 640 33/33-CDCl3/33-in CDCl3 hmqc/ test 0: Phase 2.4 checking zip directory: 641 33/33-CDCl3/33-in CDCl3 cosy/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 662 33/33-acetone-d6/33-in acetone-d6 13C/ test 0: Phase 2.4 checking zip directory: 663 33/33-acetone-d6/33-in acetone-d6 hmbc/ test 0: Phase 2.4 checking zip directory: 664 33/33-acetone-d6/33-in acetone-d6 1H/ test 0: Phase 2.4 checking zip directory: 666 33/33-acetone-d6/33-in acetone-d6 hmqc/ test 0: Phase 2.4 checking zip directory: 6 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/ test 0: Phase 2.4 checking zip directory: 7 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/ test 0: Phase 2.4 checking zip directory: 8 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/1/ test 0: Phase 2.4 checking zip directory: 683 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2.4 checking zip directory: 7 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/1/ test 0: Phase 2.4 checking zip directory: 741 37/ test 0: Phase 2.4 checking zip directory: 745 37/37-13C/ test 0: Phase 2.4 checking zip directory: 746 37/37-cosy/ test 0: Phase 2.4 checking zip directory: 747 37/37-X-ray/ test 0: Phase 2.4 checking zip directory: 749 37/37-hmbc/ test 0: Phase 2.4 checking zip directory: 750 37/37-IR/ test 0: Phase 2.4 checking zip directory: 752 37/37-hsqc/ test 0: Phase 2.4 checking zip directory: 753 37/37-1H/ test 0: Phase 2.4 checking zip directory: 6 37/37-1H/37-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 37/37-1H/37-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 37/37-cosy/37-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 37/37-cosy/37-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 37/37-13C/37-3C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 9 37/37-13C/37-3C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 776 38/ test 0: Phase 2.4 checking zip directory: 777 38/38-X-ray/ test 0: Phase 2.4 checking zip directory: 779 38/38-hmbc/ test 0: Phase 2.4 checking zip directory: 782 38/38-hmqc/ test 0: Phase 2.4 checking zip directory: 783 38/38-cosy/ test 0: Phase 2.4 checking zip directory: 784 38/38-1H/ test 0: Phase 2.4 checking zip directory: 786 38/38-IR/ test 0: Phase 2.4 checking zip directory: 788 38/38-13C/ test 0: Phase 2.4 checking zip directory: 7 38/38-13C/38-13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-13C/38-13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 38/38-1H/38-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 38/38-1H/38-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 38/38-cosy/38-cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-cosy/38-cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 38/38-hmbc/38-hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-hmbc/38-hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 811 39/ test 0: Phase 2.4 checking zip directory: 815 39/39-X-ray/ test 0: Phase 2.4 checking zip directory: 817 39/39-hmbc/ test 0: Phase 2.4 checking zip directory: 818 39/39b-X-ray/ test 0: Phase 2.4 checking zip directory: 819 39/39-IR/ test 0: Phase 2.4 checking zip directory: 820 39/39-1H/ test 0: Phase 2.4 checking zip directory: 821 39/39-cosy/ test 0: Phase 2.4 checking zip directory: 822 39/39-hmqc/ test 0: Phase 2.4 checking zip directory: 824 39/39-13C/ test 0: Phase 2.4 checking zip directory: 8 39/39-13C/39-13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 9 39/39-13C/39-13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-cosy/39-cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-cosy/39-cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-1H/39-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-1H/39-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-hmbc/39-hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-hmbc/39-hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 848 40/ test 0: Phase 2.4 checking zip directory: 849 40/40-IR/ test 0: Phase 2.4 checking zip directory: 850 40/40-1H/ test 0: Phase 2.4 checking zip directory: 851 40/40-X-ray/ test 0: Phase 2.4 checking zip directory: 854 40/40-13C/ test 0: Phase 2.4 checking zip directory: 856 40/40-cosy/ test 0: Phase 2.4 checking zip directory: 857 40/40-hmqc/ test 0: Phase 2.4 checking zip directory: 859 40/40-hmbc/ test 0: Phase 2.4 checking zip directory: 7 40/40-hmbc/40-hmbc.zip|24/pdata/ test 0: Phase 2.4 checking zip directory: 8 40/40-hmbc/40-hmbc.zip|24/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 40/40-cosy/40-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 40/40-cosy/40-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 40/40-13C/40-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 9 40/40-13C/40-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 40/40-1H/40-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 40/40-1H/40-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 883 42/ test 0: Phase 2.4 checking zip directory: 884 42/42-X-ray/ test 0: Phase 2.4 checking zip directory: 889 42/42-IR/ test 0: Phase 2.4 checking zip directory: 892 46/ test 0: Phase 2.4 checking zip directory: 894 46/46-X-ray/ test 0: Phase 2.4 checking zip directory: 897 46/46-IR/ test 0: Phase 2.4 checking zip directory: 901 49/ test 0: Phase 2.4 checking zip directory: 902 49/49-hmbc/ test 0: Phase 2.4 checking zip directory: 905 49/49-hsqc/ test 0: Phase 2.4 checking zip directory: 907 49/49-1H/ test 0: Phase 2.4 checking zip directory: 908 49/49-13C/ test 0: Phase 2.4 checking zip directory: 909 49/49-IR/ test 0: Phase 2.4 checking zip directory: 911 49/49-X-ray/ test 0: Phase 2.4 checking zip directory: 912 49/49-cosy/ test 0: Phase 2.4 checking zip directory: 7 49/49-13C/49-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 8 49/49-13C/49-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 49/49-1H/49-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 49/49-1H/49-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 937 50/ test 0: Phase 2.4 checking zip directory: 938 50/50-IR/ test 0: Phase 2.4 checking zip directory: 939 50/50-1H/ test 0: Phase 2.4 checking zip directory: 940 50/50-cosy/ test 0: Phase 2.4 checking zip directory: 941 50/50-13C/ test 0: Phase 2.4 checking zip directory: 944 50/50-hsqc/ test 0: Phase 2.4 checking zip directory: 945 50/50-X-ray/ test 0: Phase 2.4 checking zip directory: 946 50/50-hmbc/ test 0: Phase 2.4 checking zip directory: 7 50/50-13C/50-13C.zip|63/pdata/ test 0: Phase 2.4 checking zip directory: 8 50/50-13C/50-13C.zip|63/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 50/50-1H/50-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 7 50/50-1H/50-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 972 53/ test 0: Phase 2.4 checking zip directory: 976 53/53-IR/ test 0: Phase 2.4 checking zip directory: 977 53/53-X-ray/ test 0: Phase 2.4 checking zip directory: 981 54/ test 0: Phase 2.4 checking zip directory: 983 54/54-IR/ test 0: Phase 2.4 checking zip directory: 985 54/54-X-ray/ test 0: Phase 2.4 checking zip directory: 990 55/ test 0: Phase 2.4 checking zip directory: 991 55/55-IR/ test 0: Phase 2.4 checking zip directory: 995 55/55-X-ray/ test 0: Phase 2.4 checking zip directory: 999 56/ test 0: Phase 2.4 checking zip directory: 1002 56/56-X-ray/ test 0: Phase 2.4 checking zip directory: 1004 56/56-IR/ test 0: Phase 2.4 checking zip directory: 1006 56/56-comp/ test 0: Phase 2.4 checking zip directory: 1007 56/56-comp/10292/ test 0: Phase 2.4 checking zip directory: 1008 56/56-comp/10323/ test 0: Phase 2.4 checking zip directory: 1009 56/56-comp/10311/ test 0: Phase 2.4 checking zip directory: 1024 57/ test 0: Phase 2.4 checking zip directory: 1029 57/57-x-ray/ test 0: Phase 2.4 checking zip directory: 1030 57/57-IR/ test 0: Phase 2.4 checking zip directory: 1033 58/ test 0: Phase 2.4 checking zip directory: 1037 58/58-X-ray/ test 0: Phase 2.4 checking zip directory: 1038 58/58-IR/ test 0: Phase 2.4 checking zip directory: 1042 60/ test 0: Phase 2.4 checking zip directory: 1043 60/60-X-ray/ test 0: Phase 2.4 checking zip directory: 1044 60/60-IR/ test 0: Phase 2.4 checking zip directory: 1051 61/ test 0: Phase 2.4 checking zip directory: 1052 61/61-1H/ test 0: Phase 2.4 checking zip directory: 1055 61/61-IR/ test 0: Phase 2.4 checking zip directory: 1056 61/61-cosy/ test 0: Phase 2.4 checking zip directory: 1057 61/61-X-Ray/ test 0: Phase 2.4 checking zip directory: 1058 61/61-hmqc/ test 0: Phase 2.4 checking zip directory: 1060 61/61-hmbc/ test 0: Phase 2.4 checking zip directory: 1061 61/61-13C/ test 0: Phase 2.4 checking zip directory: 7 61/61-13C/61-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 8 61/61-13C/61-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 61/61-hmbc/61-hmbc.zip|25/pdata/ test 0: Phase 2.4 checking zip directory: 9 61/61-hmbc/61-hmbc.zip|25/pdata/1/ test 0: Phase 2.4 checking zip directory: 9 61/61-hmqc/61-hmqc.zip|24/pdata/ test 0: Phase 2.4 checking zip directory: 10 61/61-hmqc/61-hmqc.zip|24/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 61/61-cosy/61-cosy.zip|22/pdata/ test 0: Phase 2.4 checking zip directory: 9 61/61-cosy/61-cosy.zip|22/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 61/61-1H/61-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 61/61-1H/61-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 1086 62/ test 0: Phase 2.4 checking zip directory: 1089 62/62-X-Ray/ test 0: Phase 2.4 checking zip directory: 1091 62/62-hmbc/ test 0: Phase 2.4 checking zip directory: 1092 62/62-13C/ test 0: Phase 2.4 checking zip directory: 1094 62/62-cosy/ test 0: Phase 2.4 checking zip directory: 1095 62/62-hmqc/ test 0: Phase 2.4 checking zip directory: 1096 62/62-IR/ test 0: Phase 2.4 checking zip directory: 1098 62/62-1H/ test 0: Phase 2.4 checking zip directory: 7 62/62-1H/62-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 62/62-1H/62-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 62/62-cosy/62-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 62/62-cosy/62-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 62/62-13C/62-13C.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 9 62/62-13C/62-13C.zip|10/pdata/1/ test 0: Phase 2.4 checking 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directory: 2 5/5-13C in dmso-d6/ test 0: Phase 2.4 checking zip directory: 4 5/5-1H in dmso-d6/ test 0: Phase 2.4 checking zip directory: 6 5/5-X-ray/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 9 5/5-IR/ test 0: Phase 2.4 checking zip directory: 12 5/5-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 6 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 8 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 9 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 31 6/ test 0: Phase 2.4 checking zip directory: 33 6/6-cosy in CDCl3/ test 0: Phase 2.4 checking zip directory: 35 6/6-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 36 6/6-IR/ test 0: Phase 2.4 checking zip directory: 39 6/6-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 40 6/6-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 41 6/6-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 42 6/6-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 44 6/6-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 7 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 9 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/1/ test 0: Phase 2.4 checking zip directory: 74 8/ test 0: Phase 2.4 checking zip directory: 75 8/8-IR/ test 0: Phase 2.4 checking zip directory: 78 8/8-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 80 8/8-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 81 8/8-hmqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 82 8/8-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 84 8/8-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 86 8/8-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 87 8/8-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 8 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 7 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 113 9/ test 0: Phase 2.4 checking zip directory: 114 9/9-enol-HMBC/ test 0: Phase 2.4 checking zip directory: 115 9/9-enol-13C/ test 0: Phase 2.4 checking zip directory: 116 9/9-IR/ test 0: Phase 2.4 checking zip directory: 118 9/9-enol-HSQC/ test 0: Phase 2.4 checking zip directory: 119 9/9-keto-13C/ test 0: Phase 2.4 checking zip directory: 120 9/9-enol-1H/ test 0: Phase 2.4 checking zip directory: 124 9/9-enol-HMQC/ test 0: Phase 2.4 checking zip directory: 126 9/9-enol-cosy/ test 0: Phase 2.4 checking zip directory: 127 9/9-enolHMBC/ test 0: Phase 2.4 checking zip directory: 129 9/9-keto-1H/ test 0: Phase 2.4 checking zip directory: 7 9/9-keto-1H/9-keto form 1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 9/9-keto-1H/9-keto form 1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 9/9-enol-1H/9-enol form 1H.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-1H/9-enol form 1H.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-keto-13C/9-keto form 13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-keto-13C/9-keto form 13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-13C/9-enol form 13C.zip|13/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-13C/9-enol form 13C.zip|13/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/1/ test 0: Phase 2.4 checking zip directory: 159 10/ test 0: Phase 2.4 checking zip directory: 160 10/10-cosy in CDCl3/ test 0: Phase 2.4 checking zip directory: 162 10/10-IR/ test 0: Phase 2.4 checking zip directory: 163 10/10-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 164 10/10-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 167 10/10-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 169 10/10-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 170 10/10-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 172 10/10-hmqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 173 10/10-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 7 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 9 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 203 11/ test 0: Phase 2.4 checking zip directory: 204 11/11-IR/ test 0: Phase 2.4 checking zip directory: 205 11/11-1H/ test 0: Phase 2.4 checking zip directory: 206 11/11-cosy/ test 0: Phase 2.4 checking zip directory: 209 11/11-hsqc/ test 0: Phase 2.4 checking zip directory: 210 11/11-X-ray/ test 0: Phase 2.4 checking zip directory: 213 11/11-hmbc/ test 0: Phase 2.4 checking zip directory: 215 11/11-13C/ test 0: Phase 2.4 checking zip directory: 8 11/11-13C/11-13C.zip|63/pdata/ test 0: Phase 2.4 checking zip directory: 9 11/11-13C/11-13C.zip|63/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 11/11-hmbc/11-hmbc.zip|64/pdata/ test 0: Phase 2.4 checking zip directory: 8 11/11-hmbc/11-hmbc.zip|64/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 11/11-1H/11-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 8 11/11-1H/11-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 238 12/ test 0: Phase 2.4 checking zip directory: 239 12/12-hmbc/ test 0: Phase 2.4 checking zip directory: 240 12/12-hsqc/ test 0: Phase 2.4 checking zip directory: 244 12/12-1H/ test 0: Phase 2.4 checking zip directory: 245 12/12-X-ray/ test 0: Phase 2.4 checking zip directory: 246 12/12-cosy/ test 0: Phase 2.4 checking zip directory: 247 12/12-13C/ test 0: Phase 2.4 checking zip directory: 248 12/12-IR/ test 0: Phase 2.4 checking zip directory: 7 12/12-13C/12-13C.zip|73/pdata/ test 0: Phase 2.4 checking zip directory: 8 12/12-13C/12-13C.zip|73/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 12/12-1H/12-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 7 12/12-1H/12-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 273 14/ test 0: Phase 2.4 checking zip directory: 274 14/14-1H/ test 0: Phase 2.4 checking zip directory: 275 14/14-IR/ test 0: Phase 2.4 checking zip directory: 276 14/14-hsqc/ test 0: Phase 2.4 checking zip directory: 278 14/14-hmbc/ test 0: Phase 2.4 checking zip directory: 279 14/14-cosy/ test 0: Phase 2.4 checking zip directory: 282 14/14-13C/ test 0: Phase 2.4 checking zip directory: 285 14/14-X-ray/ test 0: Phase 2.4 checking zip directory: 7 14/14-13C/14-13C.zip|93/pdata/ test 0: Phase 2.4 checking zip directory: 8 14/14-13C/14-13C.zip|93/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 14/14-1H/14-1H.zip|90/pdata/ test 0: Phase 2.4 checking zip directory: 7 14/14-1H/14-1H.zip|90/pdata/1/ test 0: Phase 2.4 checking zip directory: 308 15/ test 0: Phase 2.4 checking zip directory: 309 15/15-IR/ test 0: Phase 2.4 checking zip directory: 310 15/15-1H/ test 0: Phase 2.4 checking zip directory: 313 15/15-X-ray/ test 0: Phase 2.4 checking zip directory: 314 15/15-solvate-X-ray/ test 0: Phase 2.4 checking zip directory: 316 15/15-13C/ test 0: Phase 2.4 checking zip directory: 8 15/15-13C/15b-13C.zip|32/pdata/ test 0: Phase 2.4 checking zip directory: 9 15/15-13C/15b-13C.zip|32/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/ test 0: Phase 2.4 checking zip directory: 8 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/ test 0: Phase 2.4 checking zip directory: 8 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/1/ test 0: Phase 2.4 checking zip directory: 334 16/ test 0: Phase 2.4 checking zip directory: 337 16/16-hmbc/ test 0: Phase 2.4 checking zip directory: 340 16/16-1H/ test 0: Phase 2.4 checking zip directory: 341 16/16-13C/ test 0: Phase 2.4 checking zip directory: 342 16/16-X-ray/ test 0: Phase 2.4 checking zip directory: 344 16/16-IR/ test 0: Phase 2.4 checking zip directory: 345 16/16-hsqc/ test 0: Phase 2.4 checking zip directory: 8 16/16-13C/16-13C.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 9 16/16-13C/16-13C.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 16/16-1H/16-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 16/16-1H/16-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 364 17/ test 0: Phase 2.4 checking zip directory: 367 17/17-cosy/ test 0: Phase 2.4 checking zip directory: 369 17/17-hmbc/ test 0: Phase 2.4 checking zip directory: 370 17/17-X-ray/ test 0: Phase 2.4 checking zip directory: 371 17/17-hsqc/ test 0: Phase 2.4 checking zip directory: 372 17/17-IR/ test 0: Phase 2.4 checking zip directory: 374 17/17-13C/ test 0: Phase 2.4 checking zip directory: 375 17/17-1H/ test 0: Phase 2.4 checking zip directory: 7 17/17-1H/17-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 8 17/17-1H/17-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 9 17/17-13C/17-13C.zip|1/pdata/ test 0: Phase 2.4 checking zip directory: 10 17/17-13C/17-13C.zip|1/pdata/1/ test 0: Phase 2.4 checking zip directory: 399 18/ test 0: Phase 2.4 checking zip directory: 400 18/18-X-ray/ test 0: Phase 2.4 checking zip directory: 401 18/18-hsqc/ test 0: Phase 2.4 checking zip directory: 403 18/18-13C/ test 0: Phase 2.4 checking zip directory: 405 18/18-hmbc/ test 0: Phase 2.4 checking zip directory: 407 18/18-1H/ test 0: Phase 2.4 checking zip directory: 408 18/18-IR/ test 0: Phase 2.4 checking zip directory: 6 18/18-1H/18-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 7 18/18-1H/18-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 18/18-13C/18-13C.zip|71/pdata/ test 0: Phase 2.4 checking zip directory: 9 18/18-13C/18-13C.zip|71/pdata/1/ test 0: Phase 2.4 checking zip directory: 429 19/ test 0: Phase 2.4 checking zip directory: 431 19/19-hsqc/ test 0: Phase 2.4 checking zip directory: 434 19/19-13C/ test 0: Phase 2.4 checking zip directory: 436 19/19-X-ray/ test 0: Phase 2.4 checking zip directory: 437 19/19-hmbc/ test 0: Phase 2.4 checking zip directory: 438 19/19-IR/ test 0: Phase 2.4 checking zip directory: 439 19/19-1H/ test 0: Phase 2.4 checking zip directory: 6 19/19-1H/19-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 19/19-1H/19-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 19/19-13C/19-13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 19/19-13C/19-13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 459 20/ test 0: Phase 2.4 checking zip directory: 460 20/20-1H/ test 0: Phase 2.4 checking zip directory: 461 20/20-13C/ test 0: Phase 2.4 checking zip directory: 463 20/20-IR/ test 0: Phase 2.4 checking zip directory: 465 20/20-X-ray/ test 0: Phase 2.4 checking zip directory: 467 20/20-hmbc/ test 0: Phase 2.4 checking zip directory: 468 20/20-hsqc/ test 0: Phase 2.4 checking zip directory: 7 20/20-13C/20-13C.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 8 20/20-13C/20-13C.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 20/20-1H/20-1H.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 20/20-1H/20-1H.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 489 21/ test 0: Phase 2.4 checking zip directory: 490 21/21-13C/ test 0: Phase 2.4 checking zip directory: 492 21/21-IR/ test 0: Phase 2.4 checking zip directory: 493 21/21-X-ray/ test 0: Phase 2.4 checking zip directory: 494 21/21-1H/ test 0: Phase 2.4 checking zip directory: 495 21/21-cosy/ test 0: Phase 2.4 checking zip directory: 500 21/21-hmbc/ test 0: Phase 2.4 checking zip directory: 501 21/21-hsqc/ test 0: Phase 2.4 checking zip directory: 6 21/21-1H/21-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 7 21/21-1H/21-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 21/21-13C/21-13C.zip|1/pdata/ test 0: Phase 2.4 checking zip directory: 8 21/21-13C/21-13C.zip|1/pdata/1/ test 0: Phase 2.4 checking zip directory: 525 24/ test 0: Phase 2.4 checking zip directory: 527 24/24-hmbc/ test 0: Phase 2.4 checking zip directory: 528 24/24-1H/ test 0: Phase 2.4 checking zip directory: 530 24/24-13C/ test 0: Phase 2.4 checking zip directory: 531 24/24-IR/ test 0: Phase 2.4 checking zip directory: 532 24/24-X-ray/ test 0: Phase 2.4 checking zip directory: 533 24/24-hsqc/ test 0: Phase 2.4 checking zip directory: 537 24/24-cosy/ test 0: Phase 2.4 checking zip directory: 7 24/24-13C/24-13C.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 24/24-13C/24-13C.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 24/24-1H/24-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 24/24-1H/24-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 24/24-hmbc/24-hmbc.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 9 24/24-hmbc/24-hmbc.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 560 25/ test 0: Phase 2.4 checking zip directory: 562 25/25-X-ray/ test 0: Phase 2.4 checking zip directory: 563 25/25-IR/ test 0: Phase 2.4 checking zip directory: 565 25/25-1H/ test 0: Phase 2.4 checking zip directory: 566 25/25-hmbc/ test 0: Phase 2.4 checking zip directory: 567 25/25-13C/ test 0: Phase 2.4 checking zip directory: 568 25/25-hsqc/ test 0: Phase 2.4 checking zip directory: 572 25/25-cosy/ test 0: Phase 2.4 checking zip directory: 8 25/25-13C/25-13C.zip|73/pdata/ test 0: Phase 2.4 checking zip directory: 9 25/25-13C/25-13C.zip|73/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 25/25-1H/25-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 8 25/25-1H/25-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 595 28/ test 0: Phase 2.4 checking zip directory: 596 28/28-hmbc/ test 0: Phase 2.4 checking zip directory: 598 28/28-hsqc/ test 0: Phase 2.4 checking zip directory: 599 28/28-1H/ test 0: Phase 2.4 checking zip directory: 601 28/28-X-ray/ test 0: Phase 2.4 checking zip directory: 603 28/28-IR/ test 0: Phase 2.4 checking zip directory: 604 28/28-13C/ test 0: Phase 2.4 checking zip directory: 8 28/28-13C/28-13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 28/28-13C/28-13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 28/28-1H/28-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 28/28-1H/28-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 625 33/ test 0: Phase 2.4 checking zip directory: 628 33/33-acetone-d6/ test 0: Phase 2.4 checking zip directory: 629 33/33-CDCl3/ test 0: Phase 2.4 checking zip directory: 631 33/33-x-ray/ test 0: Phase 2.4 checking zip directory: 632 33/33-IR/ test 0: Phase 2.4 checking zip directory: 636 33/33-CDCl3/33-in CDCl3 hmbc/ test 0: Phase 2.4 checking zip directory: 637 33/33-CDCl3/33-in CDCl3 13C/ test 0: Phase 2.4 checking zip directory: 639 33/33-CDCl3/33-in CDCl3 1H/ test 0: Phase 2.4 checking zip directory: 640 33/33-CDCl3/33-in CDCl3 hmqc/ test 0: Phase 2.4 checking zip directory: 641 33/33-CDCl3/33-in CDCl3 cosy/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 662 33/33-acetone-d6/33-in acetone-d6 13C/ test 0: Phase 2.4 checking zip directory: 663 33/33-acetone-d6/33-in acetone-d6 hmbc/ test 0: Phase 2.4 checking zip directory: 664 33/33-acetone-d6/33-in acetone-d6 1H/ test 0: Phase 2.4 checking zip directory: 666 33/33-acetone-d6/33-in acetone-d6 hmqc/ test 0: Phase 2.4 checking zip directory: 6 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/ test 0: Phase 2.4 checking zip directory: 7 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/ test 0: Phase 2.4 checking zip directory: 8 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/1/ test 0: Phase 2.4 checking zip directory: 683 34/ test 0: Phase 2.4 checking zip directory: 685 34/34-IR/ test 0: Phase 2.4 checking zip directory: 689 34/34-X-Ray/ test 0: Phase 2.4 checking zip directory: 690 34/34-NMR-acetone-d6/ test 0: Phase 2.4 checking zip directory: 691 34/34-NMR-CDCl3/ test 0: Phase 2.4 checking zip directory: 692 34/34-NMR-CDCl3/34-in CDCl3 hmbc/ test 0: Phase 2.4 checking zip directory: 693 34/34-NMR-CDCl3/34-in CDCl3 13C/ test 0: Phase 2.4 checking zip directory: 695 34/34-NMR-CDCl3/34-in CDCl3 hsqc/ test 0: Phase 2.4 checking zip directory: 696 34/34-NMR-CDCl3/34-in CDCl3 1H/ test 0: Phase 2.4 checking zip directory: 697 34/34-NMR-CDCl3/34-in CDCl3 cosy/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/1/ test 0: Phase 2.4 checking zip directory: 719 34/34-NMR-acetone-d6/34-in acetone-d6 13C/ test 0: Phase 2.4 checking zip directory: 720 34/34-NMR-acetone-d6/34-in acetone-d6 1H/ test 0: Phase 2.4 checking zip directory: 721 34/34-NMR-acetone-d6/34-in acetone-d6 hmbc/ test 0: Phase 2.4 checking zip directory: 722 34/34-NMR-acetone-d6/34-in acetone-d6 hsqc/ test 0: Phase 2.4 checking zip directory: 6 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/ test 0: Phase 2.4 checking zip directory: 7 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/1/ test 0: Phase 2.4 checking zip directory: 741 37/ test 0: Phase 2.4 checking zip directory: 745 37/37-13C/ test 0: Phase 2.4 checking zip directory: 746 37/37-cosy/ test 0: Phase 2.4 checking zip directory: 747 37/37-X-ray/ test 0: Phase 2.4 checking zip directory: 749 37/37-hmbc/ test 0: Phase 2.4 checking zip directory: 750 37/37-IR/ test 0: Phase 2.4 checking zip directory: 752 37/37-hsqc/ test 0: Phase 2.4 checking zip directory: 753 37/37-1H/ test 0: Phase 2.4 checking zip directory: 6 37/37-1H/37-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 37/37-1H/37-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 37/37-cosy/37-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 37/37-cosy/37-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 37/37-13C/37-3C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 9 37/37-13C/37-3C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 776 38/ test 0: Phase 2.4 checking zip directory: 777 38/38-X-ray/ test 0: Phase 2.4 checking zip directory: 779 38/38-hmbc/ test 0: Phase 2.4 checking zip directory: 782 38/38-hmqc/ test 0: Phase 2.4 checking zip directory: 783 38/38-cosy/ test 0: Phase 2.4 checking zip directory: 784 38/38-1H/ test 0: Phase 2.4 checking zip directory: 786 38/38-IR/ test 0: Phase 2.4 checking zip directory: 788 38/38-13C/ test 0: Phase 2.4 checking zip directory: 7 38/38-13C/38-13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-13C/38-13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 38/38-1H/38-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 38/38-1H/38-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 38/38-cosy/38-cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-cosy/38-cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 38/38-hmbc/38-hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-hmbc/38-hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 811 39/ test 0: Phase 2.4 checking zip directory: 815 39/39-X-ray/ test 0: Phase 2.4 checking zip directory: 817 39/39-hmbc/ test 0: Phase 2.4 checking zip directory: 818 39/39b-X-ray/ test 0: Phase 2.4 checking zip directory: 819 39/39-IR/ test 0: Phase 2.4 checking zip directory: 820 39/39-1H/ test 0: Phase 2.4 checking zip directory: 821 39/39-cosy/ test 0: Phase 2.4 checking zip directory: 822 39/39-hmqc/ test 0: Phase 2.4 checking zip 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50/50-cosy/ test 0: Phase 2.4 checking zip directory: 941 50/50-13C/ test 0: Phase 2.4 checking zip directory: 944 50/50-hsqc/ test 0: Phase 2.4 checking zip directory: 945 50/50-X-ray/ test 0: Phase 2.4 checking zip directory: 946 50/50-hmbc/ test 0: Phase 2.4 checking zip directory: 7 50/50-13C/50-13C.zip|63/pdata/ test 0: Phase 2.4 checking zip directory: 8 50/50-13C/50-13C.zip|63/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 50/50-1H/50-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 7 50/50-1H/50-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 972 53/ test 0: Phase 2.4 checking zip directory: 976 53/53-IR/ test 0: Phase 2.4 checking zip directory: 977 53/53-X-ray/ test 0: Phase 2.4 checking zip directory: 981 54/ test 0: Phase 2.4 checking zip directory: 983 54/54-IR/ test 0: Phase 2.4 checking zip directory: 985 54/54-X-ray/ test 0: Phase 2.4 checking zip directory: 990 55/ test 0: Phase 2.4 checking zip directory: 991 55/55-IR/ test 0: Phase 2.4 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directory: 1051 61/ test 0: Phase 2.4 checking zip directory: 1052 61/61-1H/ test 0: Phase 2.4 checking zip directory: 1055 61/61-IR/ test 0: Phase 2.4 checking zip directory: 1056 61/61-cosy/ test 0: Phase 2.4 checking zip directory: 1057 61/61-X-Ray/ test 0: Phase 2.4 checking zip directory: 1058 61/61-hmqc/ test 0: Phase 2.4 checking zip directory: 1060 61/61-hmbc/ test 0: Phase 2.4 checking zip directory: 1061 61/61-13C/ test 0: Phase 2.4 checking zip directory: 7 61/61-13C/61-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 8 61/61-13C/61-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 61/61-hmbc/61-hmbc.zip|25/pdata/ test 0: Phase 2.4 checking zip directory: 9 61/61-hmbc/61-hmbc.zip|25/pdata/1/ test 0: Phase 2.4 checking zip directory: 9 61/61-hmqc/61-hmqc.zip|24/pdata/ test 0: Phase 2.4 checking zip directory: 10 61/61-hmqc/61-hmqc.zip|24/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 61/61-cosy/61-cosy.zip|22/pdata/ test 0: Phase 2.4 checking zip directory: 9 61/61-cosy/61-cosy.zip|22/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 61/61-1H/61-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 61/61-1H/61-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 1086 62/ test 0: Phase 2.4 checking zip directory: 1089 62/62-X-Ray/ test 0: Phase 2.4 checking zip directory: 1091 62/62-hmbc/ test 0: Phase 2.4 checking zip directory: 1092 62/62-13C/ test 0: Phase 2.4 checking zip directory: 1094 62/62-cosy/ test 0: Phase 2.4 checking zip directory: 1095 62/62-hmqc/ test 0: Phase 2.4 checking zip directory: 1096 62/62-IR/ test 0: Phase 2.4 checking zip directory: 1098 62/62-1H/ test 0: Phase 2.4 checking zip directory: 7 62/62-1H/62-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 62/62-1H/62-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 62/62-cosy/62-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 62/62-cosy/62-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 62/62-13C/62-13C.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 9 62/62-13C/62-13C.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 1121 65/ test 0: Phase 2.4 checking zip directory: 1123 65/65-IR/ test 0: Phase 2.4 checking zip directory: 1125 65/65-X-ray/ test 0: Phase 2.4 checking zip directory: 1130 66/ test 0: Phase 2.4 checking zip directory: 1131 66/66-X-ray/ test 0: Phase 2.4 checking zip directory: 1136 66/66-IR/ test 0: Phase 2.4 checking zip directory: 1139 70/ test 0: Phase 2.4 checking zip directory: 1141 70/70-IR/ test 0: Phase 2.4 checking zip directory: 1143 70/70-X-ray/ test 0: Phase 2.4 checking zip directory: 1148 73/ test 0: Phase 2.4 checking zip directory: 1151 73/73-x-ray/ test 0: Phase 2.4 checking zip directory: 1153 74/ test 0: Phase 2.4 checking zip directory: 1155 74/74-x-ray/ test 0: Phase 2.4 checking zip directory: 1158 75/ test 0: Phase 2.4 checking zip directory: 1159 75/75-x-ray/ test 0: Phase 2.4 checking zip directory: 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dmso-d6.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 9 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 31 6/ test 0: Phase 2.4 checking zip directory: 33 6/6-cosy in CDCl3/ test 0: Phase 2.4 checking zip directory: 35 6/6-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 36 6/6-IR/ test 0: Phase 2.4 checking zip directory: 39 6/6-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 40 6/6-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 41 6/6-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 42 6/6-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 44 6/6-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 7 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 9 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/1/ test 0: Phase 2.4 checking zip directory: 74 8/ test 0: Phase 2.4 checking zip directory: 75 8/8-IR/ test 0: Phase 2.4 checking zip directory: 78 8/8-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 80 8/8-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 81 8/8-hmqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 82 8/8-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 84 8/8-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 86 8/8-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 87 8/8-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 8 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 7 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 113 9/ test 0: Phase 2.4 checking zip directory: 114 9/9-enol-HMBC/ test 0: Phase 2.4 checking zip directory: 115 9/9-enol-13C/ test 0: Phase 2.4 checking zip directory: 116 9/9-IR/ test 0: Phase 2.4 checking zip directory: 118 9/9-enol-HSQC/ test 0: Phase 2.4 checking zip directory: 119 9/9-keto-13C/ test 0: Phase 2.4 checking zip directory: 120 9/9-enol-1H/ test 0: Phase 2.4 checking zip directory: 124 9/9-enol-HMQC/ test 0: Phase 2.4 checking zip directory: 126 9/9-enol-cosy/ test 0: Phase 2.4 checking zip directory: 127 9/9-enolHMBC/ test 0: Phase 2.4 checking zip directory: 129 9/9-keto-1H/ test 0: Phase 2.4 checking zip directory: 7 9/9-keto-1H/9-keto form 1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 9/9-keto-1H/9-keto form 1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 9/9-enol-1H/9-enol form 1H.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-1H/9-enol form 1H.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-keto-13C/9-keto form 13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-keto-13C/9-keto form 13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-13C/9-enol form 13C.zip|13/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-13C/9-enol form 13C.zip|13/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/1/ test 0: Phase 2.4 checking zip directory: 159 10/ test 0: Phase 2.4 checking zip directory: 160 10/10-cosy in CDCl3/ test 0: Phase 2.4 checking zip directory: 162 10/10-IR/ test 0: Phase 2.4 checking zip directory: 163 10/10-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 164 10/10-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 167 10/10-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 169 10/10-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 170 10/10-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 172 10/10-hmqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 173 10/10-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 7 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 9 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 203 11/ test 0: Phase 2.4 checking zip directory: 204 11/11-IR/ test 0: Phase 2.4 checking zip directory: 205 11/11-1H/ test 0: Phase 2.4 checking zip directory: 206 11/11-cosy/ test 0: Phase 2.4 checking zip directory: 209 11/11-hsqc/ test 0: Phase 2.4 checking zip directory: 210 11/11-X-ray/ test 0: Phase 2.4 checking zip directory: 213 11/11-hmbc/ test 0: Phase 2.4 checking zip directory: 215 11/11-13C/ test 0: Phase 2.4 checking zip directory: 8 11/11-13C/11-13C.zip|63/pdata/ test 0: Phase 2.4 checking zip directory: 9 11/11-13C/11-13C.zip|63/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 11/11-hmbc/11-hmbc.zip|64/pdata/ test 0: Phase 2.4 checking zip directory: 8 11/11-hmbc/11-hmbc.zip|64/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 11/11-1H/11-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 8 11/11-1H/11-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 238 12/ test 0: Phase 2.4 checking zip directory: 239 12/12-hmbc/ test 0: Phase 2.4 checking zip directory: 240 12/12-hsqc/ test 0: Phase 2.4 checking zip directory: 244 12/12-1H/ test 0: Phase 2.4 checking zip directory: 245 12/12-X-ray/ test 0: Phase 2.4 checking zip directory: 246 12/12-cosy/ test 0: Phase 2.4 checking zip directory: 247 12/12-13C/ test 0: Phase 2.4 checking zip directory: 248 12/12-IR/ test 0: Phase 2.4 checking zip directory: 7 12/12-13C/12-13C.zip|73/pdata/ test 0: Phase 2.4 checking zip directory: 8 12/12-13C/12-13C.zip|73/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 12/12-1H/12-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 7 12/12-1H/12-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 273 14/ test 0: Phase 2.4 checking zip directory: 274 14/14-1H/ test 0: Phase 2.4 checking zip directory: 275 14/14-IR/ test 0: Phase 2.4 checking zip directory: 276 14/14-hsqc/ test 0: Phase 2.4 checking zip directory: 278 14/14-hmbc/ test 0: Phase 2.4 checking zip directory: 279 14/14-cosy/ test 0: Phase 2.4 checking zip directory: 282 14/14-13C/ test 0: Phase 2.4 checking zip directory: 285 14/14-X-ray/ test 0: Phase 2.4 checking zip directory: 7 14/14-13C/14-13C.zip|93/pdata/ test 0: Phase 2.4 checking zip directory: 8 14/14-13C/14-13C.zip|93/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 14/14-1H/14-1H.zip|90/pdata/ test 0: Phase 2.4 checking zip directory: 7 14/14-1H/14-1H.zip|90/pdata/1/ test 0: Phase 2.4 checking zip directory: 308 15/ test 0: Phase 2.4 checking zip directory: 309 15/15-IR/ test 0: Phase 2.4 checking zip directory: 310 15/15-1H/ test 0: Phase 2.4 checking zip directory: 313 15/15-X-ray/ test 0: Phase 2.4 checking zip directory: 314 15/15-solvate-X-ray/ test 0: Phase 2.4 checking zip directory: 316 15/15-13C/ test 0: Phase 2.4 checking zip directory: 8 15/15-13C/15b-13C.zip|32/pdata/ test 0: Phase 2.4 checking zip directory: 9 15/15-13C/15b-13C.zip|32/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/ test 0: Phase 2.4 checking zip directory: 8 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/ test 0: Phase 2.4 checking zip directory: 8 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/1/ test 0: Phase 2.4 checking zip directory: 334 16/ test 0: Phase 2.4 checking zip directory: 337 16/16-hmbc/ test 0: Phase 2.4 checking zip directory: 340 16/16-1H/ test 0: Phase 2.4 checking zip directory: 341 16/16-13C/ test 0: Phase 2.4 checking zip directory: 342 16/16-X-ray/ test 0: Phase 2.4 checking zip directory: 344 16/16-IR/ test 0: Phase 2.4 checking zip directory: 345 16/16-hsqc/ test 0: Phase 2.4 checking zip directory: 8 16/16-13C/16-13C.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 9 16/16-13C/16-13C.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 16/16-1H/16-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 16/16-1H/16-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 364 17/ test 0: Phase 2.4 checking zip directory: 367 17/17-cosy/ test 0: Phase 2.4 checking zip directory: 369 17/17-hmbc/ test 0: Phase 2.4 checking zip directory: 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18/18-1H/18-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 7 18/18-1H/18-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 18/18-13C/18-13C.zip|71/pdata/ test 0: Phase 2.4 checking zip directory: 9 18/18-13C/18-13C.zip|71/pdata/1/ test 0: Phase 2.4 checking zip directory: 429 19/ test 0: Phase 2.4 checking zip directory: 431 19/19-hsqc/ test 0: Phase 2.4 checking zip directory: 434 19/19-13C/ test 0: Phase 2.4 checking zip directory: 436 19/19-X-ray/ test 0: Phase 2.4 checking zip directory: 437 19/19-hmbc/ test 0: Phase 2.4 checking zip directory: 438 19/19-IR/ test 0: Phase 2.4 checking zip directory: 439 19/19-1H/ test 0: Phase 2.4 checking zip directory: 6 19/19-1H/19-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 19/19-1H/19-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 19/19-13C/19-13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 19/19-13C/19-13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 459 20/ test 0: Phase 2.4 checking zip directory: 460 20/20-1H/ test 0: Phase 2.4 checking zip directory: 461 20/20-13C/ test 0: Phase 2.4 checking zip directory: 463 20/20-IR/ test 0: Phase 2.4 checking zip directory: 465 20/20-X-ray/ test 0: Phase 2.4 checking zip directory: 467 20/20-hmbc/ test 0: Phase 2.4 checking zip directory: 468 20/20-hsqc/ test 0: Phase 2.4 checking zip directory: 7 20/20-13C/20-13C.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 8 20/20-13C/20-13C.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 20/20-1H/20-1H.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 20/20-1H/20-1H.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 489 21/ test 0: Phase 2.4 checking zip directory: 490 21/21-13C/ test 0: Phase 2.4 checking zip directory: 492 21/21-IR/ test 0: Phase 2.4 checking zip directory: 493 21/21-X-ray/ test 0: Phase 2.4 checking zip directory: 494 21/21-1H/ test 0: Phase 2.4 checking zip directory: 495 21/21-cosy/ test 0: Phase 2.4 checking zip directory: 500 21/21-hmbc/ test 0: Phase 2.4 checking zip directory: 501 21/21-hsqc/ test 0: Phase 2.4 checking zip directory: 6 21/21-1H/21-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 7 21/21-1H/21-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 21/21-13C/21-13C.zip|1/pdata/ test 0: Phase 2.4 checking zip directory: 8 21/21-13C/21-13C.zip|1/pdata/1/ test 0: Phase 2.4 checking zip directory: 525 24/ test 0: Phase 2.4 checking zip directory: 527 24/24-hmbc/ test 0: Phase 2.4 checking zip directory: 528 24/24-1H/ test 0: Phase 2.4 checking zip directory: 530 24/24-13C/ test 0: Phase 2.4 checking zip directory: 531 24/24-IR/ test 0: Phase 2.4 checking zip directory: 532 24/24-X-ray/ test 0: Phase 2.4 checking zip directory: 533 24/24-hsqc/ test 0: Phase 2.4 checking zip directory: 537 24/24-cosy/ test 0: Phase 2.4 checking zip directory: 7 24/24-13C/24-13C.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 24/24-13C/24-13C.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 24/24-1H/24-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 24/24-1H/24-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 24/24-hmbc/24-hmbc.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 9 24/24-hmbc/24-hmbc.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 560 25/ test 0: Phase 2.4 checking zip directory: 562 25/25-X-ray/ test 0: Phase 2.4 checking zip directory: 563 25/25-IR/ test 0: Phase 2.4 checking zip directory: 565 25/25-1H/ test 0: Phase 2.4 checking zip directory: 566 25/25-hmbc/ test 0: Phase 2.4 checking zip directory: 567 25/25-13C/ test 0: Phase 2.4 checking zip directory: 568 25/25-hsqc/ test 0: Phase 2.4 checking zip directory: 572 25/25-cosy/ test 0: Phase 2.4 checking zip directory: 8 25/25-13C/25-13C.zip|73/pdata/ test 0: Phase 2.4 checking zip directory: 9 25/25-13C/25-13C.zip|73/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 25/25-1H/25-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 8 25/25-1H/25-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 595 28/ test 0: Phase 2.4 checking zip directory: 596 28/28-hmbc/ test 0: Phase 2.4 checking zip directory: 598 28/28-hsqc/ test 0: Phase 2.4 checking zip directory: 599 28/28-1H/ test 0: Phase 2.4 checking zip directory: 601 28/28-X-ray/ test 0: Phase 2.4 checking zip directory: 603 28/28-IR/ test 0: Phase 2.4 checking zip directory: 604 28/28-13C/ test 0: Phase 2.4 checking zip directory: 8 28/28-13C/28-13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 28/28-13C/28-13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 28/28-1H/28-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 28/28-1H/28-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 625 33/ test 0: Phase 2.4 checking zip directory: 628 33/33-acetone-d6/ test 0: Phase 2.4 checking zip directory: 629 33/33-CDCl3/ test 0: Phase 2.4 checking zip directory: 631 33/33-x-ray/ test 0: Phase 2.4 checking zip directory: 632 33/33-IR/ test 0: Phase 2.4 checking zip directory: 636 33/33-CDCl3/33-in CDCl3 hmbc/ test 0: Phase 2.4 checking zip directory: 637 33/33-CDCl3/33-in CDCl3 13C/ test 0: Phase 2.4 checking zip directory: 639 33/33-CDCl3/33-in CDCl3 1H/ test 0: Phase 2.4 checking zip directory: 640 33/33-CDCl3/33-in CDCl3 hmqc/ test 0: Phase 2.4 checking zip directory: 641 33/33-CDCl3/33-in CDCl3 cosy/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 662 33/33-acetone-d6/33-in acetone-d6 13C/ test 0: Phase 2.4 checking zip directory: 663 33/33-acetone-d6/33-in acetone-d6 hmbc/ test 0: Phase 2.4 checking zip directory: 664 33/33-acetone-d6/33-in acetone-d6 1H/ test 0: Phase 2.4 checking zip directory: 666 33/33-acetone-d6/33-in acetone-d6 hmqc/ test 0: Phase 2.4 checking zip directory: 6 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/ test 0: Phase 2.4 checking zip directory: 7 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/ test 0: Phase 2.4 checking zip directory: 8 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/1/ test 0: Phase 2.4 checking zip directory: 683 34/ test 0: Phase 2.4 checking zip directory: 685 34/34-IR/ test 0: Phase 2.4 checking zip directory: 689 34/34-X-Ray/ test 0: Phase 2.4 checking zip directory: 690 34/34-NMR-acetone-d6/ test 0: Phase 2.4 checking zip directory: 691 34/34-NMR-CDCl3/ test 0: Phase 2.4 checking zip directory: 692 34/34-NMR-CDCl3/34-in CDCl3 hmbc/ test 0: Phase 2.4 checking zip directory: 693 34/34-NMR-CDCl3/34-in CDCl3 13C/ test 0: Phase 2.4 checking zip directory: 695 34/34-NMR-CDCl3/34-in CDCl3 hsqc/ test 0: Phase 2.4 checking zip directory: 696 34/34-NMR-CDCl3/34-in CDCl3 1H/ test 0: Phase 2.4 checking zip directory: 697 34/34-NMR-CDCl3/34-in CDCl3 cosy/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/1/ test 0: Phase 2.4 checking zip directory: 719 34/34-NMR-acetone-d6/34-in acetone-d6 13C/ test 0: Phase 2.4 checking zip directory: 720 34/34-NMR-acetone-d6/34-in acetone-d6 1H/ test 0: Phase 2.4 checking zip directory: 721 34/34-NMR-acetone-d6/34-in acetone-d6 hmbc/ test 0: Phase 2.4 checking zip directory: 722 34/34-NMR-acetone-d6/34-in acetone-d6 hsqc/ test 0: Phase 2.4 checking zip directory: 6 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/ test 0: Phase 2.4 checking zip directory: 7 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/1/ test 0: Phase 2.4 checking zip directory: 741 37/ test 0: Phase 2.4 checking zip directory: 745 37/37-13C/ test 0: Phase 2.4 checking zip directory: 746 37/37-cosy/ test 0: Phase 2.4 checking zip directory: 747 37/37-X-ray/ test 0: Phase 2.4 checking zip directory: 749 37/37-hmbc/ test 0: Phase 2.4 checking zip directory: 750 37/37-IR/ test 0: Phase 2.4 checking zip directory: 752 37/37-hsqc/ test 0: Phase 2.4 checking zip directory: 753 37/37-1H/ test 0: Phase 2.4 checking zip directory: 6 37/37-1H/37-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 37/37-1H/37-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 37/37-cosy/37-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 37/37-cosy/37-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 37/37-13C/37-3C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 9 37/37-13C/37-3C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 776 38/ test 0: Phase 2.4 checking zip directory: 777 38/38-X-ray/ test 0: Phase 2.4 checking zip directory: 779 38/38-hmbc/ test 0: Phase 2.4 checking zip directory: 782 38/38-hmqc/ test 0: Phase 2.4 checking zip directory: 783 38/38-cosy/ test 0: Phase 2.4 checking zip directory: 784 38/38-1H/ test 0: Phase 2.4 checking zip directory: 786 38/38-IR/ test 0: Phase 2.4 checking zip directory: 788 38/38-13C/ test 0: Phase 2.4 checking zip directory: 7 38/38-13C/38-13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-13C/38-13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 38/38-1H/38-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 38/38-1H/38-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 38/38-cosy/38-cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-cosy/38-cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 38/38-hmbc/38-hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-hmbc/38-hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 811 39/ test 0: Phase 2.4 checking zip directory: 815 39/39-X-ray/ test 0: Phase 2.4 checking zip directory: 817 39/39-hmbc/ test 0: Phase 2.4 checking zip directory: 818 39/39b-X-ray/ test 0: Phase 2.4 checking zip directory: 819 39/39-IR/ test 0: Phase 2.4 checking zip directory: 820 39/39-1H/ test 0: Phase 2.4 checking zip directory: 821 39/39-cosy/ test 0: Phase 2.4 checking zip directory: 822 39/39-hmqc/ test 0: Phase 2.4 checking zip directory: 824 39/39-13C/ test 0: Phase 2.4 checking zip directory: 8 39/39-13C/39-13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 9 39/39-13C/39-13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-cosy/39-cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-cosy/39-cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-1H/39-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-1H/39-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-hmbc/39-hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-hmbc/39-hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 848 40/ test 0: Phase 2.4 checking zip directory: 849 40/40-IR/ test 0: Phase 2.4 checking zip directory: 850 40/40-1H/ test 0: Phase 2.4 checking zip directory: 851 40/40-X-ray/ test 0: Phase 2.4 checking zip directory: 854 40/40-13C/ test 0: Phase 2.4 checking zip directory: 856 40/40-cosy/ test 0: Phase 2.4 checking zip directory: 857 40/40-hmqc/ test 0: Phase 2.4 checking zip directory: 859 40/40-hmbc/ test 0: Phase 2.4 checking zip directory: 7 40/40-hmbc/40-hmbc.zip|24/pdata/ test 0: Phase 2.4 checking zip directory: 8 40/40-hmbc/40-hmbc.zip|24/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 40/40-cosy/40-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 40/40-cosy/40-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 40/40-13C/40-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 9 40/40-13C/40-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 40/40-1H/40-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 40/40-1H/40-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 883 42/ test 0: Phase 2.4 checking zip directory: 884 42/42-X-ray/ test 0: Phase 2.4 checking zip directory: 889 42/42-IR/ test 0: Phase 2.4 checking zip directory: 892 46/ test 0: Phase 2.4 checking zip directory: 894 46/46-X-ray/ test 0: Phase 2.4 checking zip directory: 897 46/46-IR/ test 0: Phase 2.4 checking zip directory: 901 49/ test 0: Phase 2.4 checking zip directory: 902 49/49-hmbc/ test 0: Phase 2.4 checking zip directory: 905 49/49-hsqc/ test 0: Phase 2.4 checking zip directory: 907 49/49-1H/ test 0: Phase 2.4 checking zip directory: 908 49/49-13C/ test 0: Phase 2.4 checking zip directory: 909 49/49-IR/ test 0: Phase 2.4 checking zip directory: 911 49/49-X-ray/ test 0: Phase 2.4 checking zip directory: 912 49/49-cosy/ test 0: Phase 2.4 checking zip directory: 7 49/49-13C/49-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 8 49/49-13C/49-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 49/49-1H/49-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 49/49-1H/49-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 937 50/ test 0: Phase 2.4 checking zip directory: 938 50/50-IR/ test 0: Phase 2.4 checking zip directory: 939 50/50-1H/ test 0: Phase 2.4 checking zip directory: 940 50/50-cosy/ test 0: Phase 2.4 checking zip directory: 941 50/50-13C/ test 0: Phase 2.4 checking zip directory: 944 50/50-hsqc/ test 0: Phase 2.4 checking zip directory: 945 50/50-X-ray/ test 0: Phase 2.4 checking zip directory: 946 50/50-hmbc/ test 0: Phase 2.4 checking zip directory: 7 50/50-13C/50-13C.zip|63/pdata/ test 0: Phase 2.4 checking zip directory: 8 50/50-13C/50-13C.zip|63/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 50/50-1H/50-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 7 50/50-1H/50-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 972 53/ test 0: Phase 2.4 checking zip directory: 976 53/53-IR/ test 0: Phase 2.4 checking zip directory: 977 53/53-X-ray/ test 0: Phase 2.4 checking zip directory: 981 54/ test 0: Phase 2.4 checking zip directory: 983 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Phase 2.4 checking zip directory: 1042 60/ test 0: Phase 2.4 checking zip directory: 1043 60/60-X-ray/ test 0: Phase 2.4 checking zip directory: 1044 60/60-IR/ test 0: Phase 2.4 checking zip directory: 1051 61/ test 0: Phase 2.4 checking zip directory: 1052 61/61-1H/ test 0: Phase 2.4 checking zip directory: 1055 61/61-IR/ test 0: Phase 2.4 checking zip directory: 1056 61/61-cosy/ test 0: Phase 2.4 checking zip directory: 1057 61/61-X-Ray/ test 0: Phase 2.4 checking zip directory: 1058 61/61-hmqc/ test 0: Phase 2.4 checking zip directory: 1060 61/61-hmbc/ test 0: Phase 2.4 checking zip directory: 1061 61/61-13C/ test 0: Phase 2.4 checking zip directory: 7 61/61-13C/61-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 8 61/61-13C/61-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 61/61-hmbc/61-hmbc.zip|25/pdata/ test 0: Phase 2.4 checking zip directory: 9 61/61-hmbc/61-hmbc.zip|25/pdata/1/ test 0: Phase 2.4 checking zip directory: 9 61/61-hmqc/61-hmqc.zip|24/pdata/ test 0: Phase 2.4 checking zip directory: 10 61/61-hmqc/61-hmqc.zip|24/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 61/61-cosy/61-cosy.zip|22/pdata/ test 0: Phase 2.4 checking zip directory: 9 61/61-cosy/61-cosy.zip|22/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 61/61-1H/61-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 61/61-1H/61-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 1086 62/ test 0: Phase 2.4 checking zip directory: 1089 62/62-X-Ray/ test 0: Phase 2.4 checking zip directory: 1091 62/62-hmbc/ test 0: Phase 2.4 checking zip directory: 1092 62/62-13C/ test 0: Phase 2.4 checking zip directory: 1094 62/62-cosy/ test 0: Phase 2.4 checking zip directory: 1095 62/62-hmqc/ test 0: Phase 2.4 checking zip directory: 1096 62/62-IR/ test 0: Phase 2.4 checking zip directory: 1098 62/62-1H/ test 0: Phase 2.4 checking zip directory: 7 62/62-1H/62-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 62/62-1H/62-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 62/62-cosy/62-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 62/62-cosy/62-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 62/62-13C/62-13C.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 9 62/62-13C/62-13C.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 1121 65/ test 0: Phase 2.4 checking zip directory: 1123 65/65-IR/ test 0: Phase 2.4 checking zip directory: 1125 65/65-X-ray/ test 0: Phase 2.4 checking zip directory: 1130 66/ test 0: Phase 2.4 checking zip directory: 1131 66/66-X-ray/ test 0: Phase 2.4 checking zip directory: 1136 66/66-IR/ test 0: Phase 2.4 checking zip directory: 1139 70/ test 0: Phase 2.4 checking zip directory: 1141 70/70-IR/ test 0: Phase 2.4 checking zip directory: 1143 70/70-X-ray/ test 0: Phase 2.4 checking zip directory: 1148 73/ test 0: Phase 2.4 checking zip directory: 1151 73/73-x-ray/ test 0: Phase 2.4 checking zip directory: 1153 74/ test 0: Phase 2.4 checking zip directory: 1155 74/74-x-ray/ test 0: Phase 2.4 checking zip directory: 1158 75/ test 0: Phase 2.4 checking zip directory: 1159 75/75-x-ray/ test 0: Phase 2.4 checking zip directory: 1161 76/ test 0: Phase 2.4 checking zip directory: 1163 76/76-x-ray/ test 0: Phase 2.4 checking zip directory: 1 5/ test 0: Phase 2.4 checking zip directory: 2 5/5-13C in dmso-d6/ test 0: Phase 2.4 checking zip directory: 4 5/5-1H in dmso-d6/ test 0: Phase 2.4 checking zip directory: 6 5/5-X-ray/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 9 5/5-IR/ test 0: Phase 2.4 checking zip directory: 12 5/5-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 6 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 8 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 9 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 31 6/ test 0: Phase 2.4 checking zip directory: 33 6/6-cosy in CDCl3/ test 0: Phase 2.4 checking zip directory: 35 6/6-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 36 6/6-IR/ test 0: Phase 2.4 checking zip directory: 39 6/6-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 40 6/6-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 41 6/6-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 42 6/6-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 44 6/6-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 7 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 9 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/1/ test 0: Phase 2.4 checking zip directory: 74 8/ test 0: Phase 2.4 checking zip directory: 75 8/8-IR/ test 0: Phase 2.4 checking zip directory: 78 8/8-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 80 8/8-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 81 8/8-hmqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 82 8/8-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 84 8/8-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 86 8/8-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 87 8/8-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 8 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 7 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 113 9/ test 0: Phase 2.4 checking zip directory: 114 9/9-enol-HMBC/ test 0: Phase 2.4 checking zip directory: 115 9/9-enol-13C/ test 0: Phase 2.4 checking zip directory: 116 9/9-IR/ test 0: Phase 2.4 checking zip directory: 118 9/9-enol-HSQC/ test 0: Phase 2.4 checking zip directory: 119 9/9-keto-13C/ test 0: Phase 2.4 checking zip directory: 120 9/9-enol-1H/ test 0: Phase 2.4 checking zip directory: 124 9/9-enol-HMQC/ test 0: Phase 2.4 checking zip directory: 126 9/9-enol-cosy/ test 0: Phase 2.4 checking zip directory: 127 9/9-enolHMBC/ test 0: Phase 2.4 checking zip directory: 129 9/9-keto-1H/ test 0: Phase 2.4 checking zip directory: 7 9/9-keto-1H/9-keto form 1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 9/9-keto-1H/9-keto form 1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 9/9-enol-1H/9-enol form 1H.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-1H/9-enol form 1H.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-keto-13C/9-keto form 13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-keto-13C/9-keto form 13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-13C/9-enol form 13C.zip|13/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-13C/9-enol form 13C.zip|13/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/1/ test 0: Phase 2.4 checking zip directory: 159 10/ test 0: Phase 2.4 checking zip directory: 160 10/10-cosy in CDCl3/ test 0: Phase 2.4 checking zip directory: 162 10/10-IR/ test 0: Phase 2.4 checking zip directory: 163 10/10-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 164 10/10-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 167 10/10-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 169 10/10-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 170 10/10-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 172 10/10-hmqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 173 10/10-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 7 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 9 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 203 11/ test 0: Phase 2.4 checking zip directory: 204 11/11-IR/ test 0: Phase 2.4 checking zip directory: 205 11/11-1H/ test 0: Phase 2.4 checking zip directory: 206 11/11-cosy/ test 0: Phase 2.4 checking zip directory: 209 11/11-hsqc/ test 0: Phase 2.4 checking zip directory: 210 11/11-X-ray/ test 0: Phase 2.4 checking zip directory: 213 11/11-hmbc/ test 0: Phase 2.4 checking zip directory: 215 11/11-13C/ test 0: Phase 2.4 checking zip directory: 8 11/11-13C/11-13C.zip|63/pdata/ test 0: Phase 2.4 checking zip directory: 9 11/11-13C/11-13C.zip|63/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 11/11-hmbc/11-hmbc.zip|64/pdata/ test 0: Phase 2.4 checking zip directory: 8 11/11-hmbc/11-hmbc.zip|64/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 11/11-1H/11-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 8 11/11-1H/11-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 238 12/ test 0: Phase 2.4 checking zip directory: 239 12/12-hmbc/ test 0: Phase 2.4 checking zip directory: 240 12/12-hsqc/ test 0: Phase 2.4 checking zip directory: 244 12/12-1H/ test 0: Phase 2.4 checking zip directory: 245 12/12-X-ray/ test 0: Phase 2.4 checking zip directory: 246 12/12-cosy/ test 0: Phase 2.4 checking zip directory: 247 12/12-13C/ test 0: Phase 2.4 checking zip directory: 248 12/12-IR/ test 0: Phase 2.4 checking zip directory: 7 12/12-13C/12-13C.zip|73/pdata/ test 0: Phase 2.4 checking zip directory: 8 12/12-13C/12-13C.zip|73/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 12/12-1H/12-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 7 12/12-1H/12-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 273 14/ test 0: Phase 2.4 checking zip directory: 274 14/14-1H/ test 0: Phase 2.4 checking zip directory: 275 14/14-IR/ test 0: Phase 2.4 checking zip directory: 276 14/14-hsqc/ test 0: Phase 2.4 checking zip directory: 278 14/14-hmbc/ test 0: Phase 2.4 checking zip directory: 279 14/14-cosy/ test 0: Phase 2.4 checking zip directory: 282 14/14-13C/ test 0: Phase 2.4 checking zip directory: 285 14/14-X-ray/ test 0: Phase 2.4 checking zip directory: 7 14/14-13C/14-13C.zip|93/pdata/ test 0: Phase 2.4 checking zip directory: 8 14/14-13C/14-13C.zip|93/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 14/14-1H/14-1H.zip|90/pdata/ test 0: Phase 2.4 checking zip directory: 7 14/14-1H/14-1H.zip|90/pdata/1/ test 0: Phase 2.4 checking zip directory: 308 15/ test 0: Phase 2.4 checking zip directory: 309 15/15-IR/ test 0: Phase 2.4 checking zip directory: 310 15/15-1H/ test 0: Phase 2.4 checking zip directory: 313 15/15-X-ray/ test 0: Phase 2.4 checking zip directory: 314 15/15-solvate-X-ray/ test 0: Phase 2.4 checking zip directory: 316 15/15-13C/ test 0: Phase 2.4 checking zip directory: 8 15/15-13C/15b-13C.zip|32/pdata/ test 0: Phase 2.4 checking zip directory: 9 15/15-13C/15b-13C.zip|32/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/ test 0: Phase 2.4 checking zip directory: 8 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/ test 0: Phase 2.4 checking zip directory: 8 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/1/ test 0: Phase 2.4 checking zip directory: 334 16/ test 0: Phase 2.4 checking zip directory: 337 16/16-hmbc/ test 0: Phase 2.4 checking zip directory: 340 16/16-1H/ test 0: Phase 2.4 checking zip directory: 341 16/16-13C/ test 0: Phase 2.4 checking zip directory: 342 16/16-X-ray/ test 0: Phase 2.4 checking zip directory: 344 16/16-IR/ test 0: Phase 2.4 checking zip directory: 345 16/16-hsqc/ test 0: Phase 2.4 checking zip directory: 8 16/16-13C/16-13C.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 9 16/16-13C/16-13C.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 16/16-1H/16-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 16/16-1H/16-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 364 17/ test 0: Phase 2.4 checking zip directory: 367 17/17-cosy/ test 0: Phase 2.4 checking zip directory: 369 17/17-hmbc/ test 0: Phase 2.4 checking zip directory: 370 17/17-X-ray/ test 0: Phase 2.4 checking zip directory: 371 17/17-hsqc/ test 0: Phase 2.4 checking zip directory: 372 17/17-IR/ test 0: Phase 2.4 checking zip directory: 374 17/17-13C/ test 0: Phase 2.4 checking zip directory: 375 17/17-1H/ test 0: Phase 2.4 checking zip directory: 7 17/17-1H/17-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 8 17/17-1H/17-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 9 17/17-13C/17-13C.zip|1/pdata/ test 0: Phase 2.4 checking zip directory: 10 17/17-13C/17-13C.zip|1/pdata/1/ test 0: Phase 2.4 checking zip directory: 399 18/ test 0: Phase 2.4 checking zip directory: 400 18/18-X-ray/ test 0: Phase 2.4 checking zip directory: 401 18/18-hsqc/ test 0: Phase 2.4 checking zip directory: 403 18/18-13C/ test 0: Phase 2.4 checking zip directory: 405 18/18-hmbc/ test 0: Phase 2.4 checking zip directory: 407 18/18-1H/ test 0: Phase 2.4 checking zip directory: 408 18/18-IR/ test 0: Phase 2.4 checking zip directory: 6 18/18-1H/18-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 7 18/18-1H/18-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 18/18-13C/18-13C.zip|71/pdata/ test 0: Phase 2.4 checking zip directory: 9 18/18-13C/18-13C.zip|71/pdata/1/ test 0: Phase 2.4 checking zip directory: 429 19/ test 0: Phase 2.4 checking zip directory: 431 19/19-hsqc/ test 0: Phase 2.4 checking zip directory: 434 19/19-13C/ test 0: Phase 2.4 checking zip directory: 436 19/19-X-ray/ test 0: Phase 2.4 checking zip directory: 437 19/19-hmbc/ test 0: Phase 2.4 checking zip directory: 438 19/19-IR/ test 0: Phase 2.4 checking zip directory: 439 19/19-1H/ test 0: Phase 2.4 checking zip directory: 6 19/19-1H/19-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 19/19-1H/19-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 19/19-13C/19-13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 19/19-13C/19-13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 459 20/ test 0: Phase 2.4 checking zip directory: 460 20/20-1H/ test 0: Phase 2.4 checking zip directory: 461 20/20-13C/ test 0: Phase 2.4 checking zip directory: 463 20/20-IR/ test 0: Phase 2.4 checking zip directory: 465 20/20-X-ray/ test 0: Phase 2.4 checking zip directory: 467 20/20-hmbc/ test 0: Phase 2.4 checking zip directory: 468 20/20-hsqc/ test 0: Phase 2.4 checking zip directory: 7 20/20-13C/20-13C.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 8 20/20-13C/20-13C.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 20/20-1H/20-1H.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 20/20-1H/20-1H.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 489 21/ test 0: Phase 2.4 checking zip directory: 490 21/21-13C/ test 0: Phase 2.4 checking zip directory: 492 21/21-IR/ test 0: Phase 2.4 checking zip directory: 493 21/21-X-ray/ test 0: Phase 2.4 checking zip directory: 494 21/21-1H/ test 0: Phase 2.4 checking zip directory: 495 21/21-cosy/ test 0: Phase 2.4 checking zip directory: 500 21/21-hmbc/ test 0: Phase 2.4 checking zip directory: 501 21/21-hsqc/ test 0: Phase 2.4 checking zip directory: 6 21/21-1H/21-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 7 21/21-1H/21-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 21/21-13C/21-13C.zip|1/pdata/ test 0: Phase 2.4 checking zip directory: 8 21/21-13C/21-13C.zip|1/pdata/1/ test 0: Phase 2.4 checking zip directory: 525 24/ test 0: Phase 2.4 checking zip directory: 527 24/24-hmbc/ test 0: Phase 2.4 checking zip directory: 528 24/24-1H/ test 0: Phase 2.4 checking zip directory: 530 24/24-13C/ test 0: Phase 2.4 checking zip directory: 531 24/24-IR/ test 0: Phase 2.4 checking zip directory: 532 24/24-X-ray/ test 0: Phase 2.4 checking zip directory: 533 24/24-hsqc/ test 0: Phase 2.4 checking zip directory: 537 24/24-cosy/ test 0: Phase 2.4 checking zip directory: 7 24/24-13C/24-13C.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 24/24-13C/24-13C.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 24/24-1H/24-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 24/24-1H/24-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 24/24-hmbc/24-hmbc.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 9 24/24-hmbc/24-hmbc.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 560 25/ test 0: Phase 2.4 checking zip directory: 562 25/25-X-ray/ test 0: Phase 2.4 checking zip directory: 563 25/25-IR/ test 0: Phase 2.4 checking zip directory: 565 25/25-1H/ test 0: Phase 2.4 checking zip directory: 566 25/25-hmbc/ test 0: Phase 2.4 checking zip directory: 567 25/25-13C/ test 0: Phase 2.4 checking zip directory: 568 25/25-hsqc/ test 0: Phase 2.4 checking zip directory: 572 25/25-cosy/ test 0: Phase 2.4 checking zip directory: 8 25/25-13C/25-13C.zip|73/pdata/ test 0: Phase 2.4 checking zip directory: 9 25/25-13C/25-13C.zip|73/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 25/25-1H/25-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 8 25/25-1H/25-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 595 28/ test 0: Phase 2.4 checking zip directory: 596 28/28-hmbc/ test 0: Phase 2.4 checking zip directory: 598 28/28-hsqc/ test 0: Phase 2.4 checking zip directory: 599 28/28-1H/ test 0: Phase 2.4 checking zip directory: 601 28/28-X-ray/ test 0: Phase 2.4 checking zip directory: 603 28/28-IR/ test 0: Phase 2.4 checking zip directory: 604 28/28-13C/ test 0: Phase 2.4 checking zip directory: 8 28/28-13C/28-13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 28/28-13C/28-13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 28/28-1H/28-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 28/28-1H/28-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 625 33/ test 0: Phase 2.4 checking zip directory: 628 33/33-acetone-d6/ test 0: Phase 2.4 checking zip directory: 629 33/33-CDCl3/ test 0: Phase 2.4 checking zip directory: 631 33/33-x-ray/ test 0: Phase 2.4 checking zip directory: 632 33/33-IR/ test 0: Phase 2.4 checking zip directory: 636 33/33-CDCl3/33-in CDCl3 hmbc/ test 0: Phase 2.4 checking zip directory: 637 33/33-CDCl3/33-in CDCl3 13C/ test 0: Phase 2.4 checking zip directory: 639 33/33-CDCl3/33-in CDCl3 1H/ test 0: Phase 2.4 checking zip directory: 640 33/33-CDCl3/33-in CDCl3 hmqc/ test 0: Phase 2.4 checking zip directory: 641 33/33-CDCl3/33-in CDCl3 cosy/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 662 33/33-acetone-d6/33-in acetone-d6 13C/ test 0: Phase 2.4 checking zip directory: 663 33/33-acetone-d6/33-in acetone-d6 hmbc/ test 0: Phase 2.4 checking zip directory: 664 33/33-acetone-d6/33-in acetone-d6 1H/ test 0: Phase 2.4 checking zip directory: 666 33/33-acetone-d6/33-in acetone-d6 hmqc/ test 0: Phase 2.4 checking zip directory: 6 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/ test 0: Phase 2.4 checking zip directory: 7 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/ test 0: Phase 2.4 checking zip directory: 8 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/1/ test 0: Phase 2.4 checking zip directory: 683 34/ test 0: Phase 2.4 checking zip directory: 685 34/34-IR/ test 0: Phase 2.4 checking zip directory: 689 34/34-X-Ray/ test 0: Phase 2.4 checking zip directory: 690 34/34-NMR-acetone-d6/ test 0: Phase 2.4 checking zip directory: 691 34/34-NMR-CDCl3/ test 0: Phase 2.4 checking zip directory: 692 34/34-NMR-CDCl3/34-in CDCl3 hmbc/ test 0: Phase 2.4 checking zip directory: 693 34/34-NMR-CDCl3/34-in CDCl3 13C/ test 0: Phase 2.4 checking zip directory: 695 34/34-NMR-CDCl3/34-in CDCl3 hsqc/ test 0: Phase 2.4 checking zip directory: 696 34/34-NMR-CDCl3/34-in CDCl3 1H/ test 0: Phase 2.4 checking zip directory: 697 34/34-NMR-CDCl3/34-in CDCl3 cosy/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/1/ test 0: Phase 2.4 checking zip directory: 719 34/34-NMR-acetone-d6/34-in acetone-d6 13C/ test 0: Phase 2.4 checking zip directory: 720 34/34-NMR-acetone-d6/34-in acetone-d6 1H/ test 0: Phase 2.4 checking zip directory: 721 34/34-NMR-acetone-d6/34-in acetone-d6 hmbc/ test 0: Phase 2.4 checking zip directory: 722 34/34-NMR-acetone-d6/34-in acetone-d6 hsqc/ test 0: Phase 2.4 checking zip directory: 6 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/ test 0: Phase 2.4 checking zip directory: 7 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/1/ test 0: Phase 2.4 checking zip directory: 741 37/ test 0: Phase 2.4 checking zip directory: 745 37/37-13C/ test 0: Phase 2.4 checking zip directory: 746 37/37-cosy/ test 0: Phase 2.4 checking zip directory: 747 37/37-X-ray/ test 0: Phase 2.4 checking zip directory: 749 37/37-hmbc/ test 0: Phase 2.4 checking zip directory: 750 37/37-IR/ test 0: Phase 2.4 checking zip directory: 752 37/37-hsqc/ test 0: Phase 2.4 checking zip directory: 753 37/37-1H/ test 0: Phase 2.4 checking zip directory: 6 37/37-1H/37-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 37/37-1H/37-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 37/37-cosy/37-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 37/37-cosy/37-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 37/37-13C/37-3C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 9 37/37-13C/37-3C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 776 38/ test 0: Phase 2.4 checking zip directory: 777 38/38-X-ray/ test 0: Phase 2.4 checking zip directory: 779 38/38-hmbc/ test 0: Phase 2.4 checking zip directory: 782 38/38-hmqc/ test 0: Phase 2.4 checking zip directory: 783 38/38-cosy/ test 0: Phase 2.4 checking zip directory: 784 38/38-1H/ test 0: Phase 2.4 checking zip directory: 786 38/38-IR/ test 0: Phase 2.4 checking zip directory: 788 38/38-13C/ test 0: Phase 2.4 checking zip directory: 7 38/38-13C/38-13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-13C/38-13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 38/38-1H/38-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 38/38-1H/38-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 38/38-cosy/38-cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-cosy/38-cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 38/38-hmbc/38-hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-hmbc/38-hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 811 39/ test 0: Phase 2.4 checking zip directory: 815 39/39-X-ray/ test 0: Phase 2.4 checking zip directory: 817 39/39-hmbc/ test 0: Phase 2.4 checking zip directory: 818 39/39b-X-ray/ test 0: Phase 2.4 checking zip directory: 819 39/39-IR/ test 0: Phase 2.4 checking zip directory: 820 39/39-1H/ test 0: Phase 2.4 checking zip directory: 821 39/39-cosy/ test 0: Phase 2.4 checking zip directory: 822 39/39-hmqc/ test 0: Phase 2.4 checking zip directory: 824 39/39-13C/ test 0: Phase 2.4 checking zip directory: 8 39/39-13C/39-13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 9 39/39-13C/39-13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-cosy/39-cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-cosy/39-cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-1H/39-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-1H/39-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-hmbc/39-hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-hmbc/39-hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 848 40/ test 0: Phase 2.4 checking zip directory: 849 40/40-IR/ test 0: Phase 2.4 checking zip directory: 850 40/40-1H/ test 0: Phase 2.4 checking zip directory: 851 40/40-X-ray/ test 0: Phase 2.4 checking zip directory: 854 40/40-13C/ test 0: Phase 2.4 checking zip directory: 856 40/40-cosy/ test 0: Phase 2.4 checking zip directory: 857 40/40-hmqc/ test 0: Phase 2.4 checking zip directory: 859 40/40-hmbc/ test 0: Phase 2.4 checking zip directory: 7 40/40-hmbc/40-hmbc.zip|24/pdata/ test 0: Phase 2.4 checking zip directory: 8 40/40-hmbc/40-hmbc.zip|24/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 40/40-cosy/40-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 40/40-cosy/40-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 40/40-13C/40-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 9 40/40-13C/40-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 40/40-1H/40-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 40/40-1H/40-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 883 42/ test 0: Phase 2.4 checking zip directory: 884 42/42-X-ray/ test 0: Phase 2.4 checking zip directory: 889 42/42-IR/ test 0: Phase 2.4 checking zip directory: 892 46/ test 0: Phase 2.4 checking zip directory: 894 46/46-X-ray/ test 0: Phase 2.4 checking zip directory: 897 46/46-IR/ test 0: Phase 2.4 checking zip directory: 901 49/ test 0: Phase 2.4 checking zip directory: 902 49/49-hmbc/ test 0: Phase 2.4 checking zip directory: 905 49/49-hsqc/ test 0: Phase 2.4 checking zip directory: 907 49/49-1H/ test 0: Phase 2.4 checking zip directory: 908 49/49-13C/ test 0: Phase 2.4 checking zip directory: 909 49/49-IR/ test 0: Phase 2.4 checking zip directory: 911 49/49-X-ray/ test 0: Phase 2.4 checking zip directory: 912 49/49-cosy/ test 0: Phase 2.4 checking zip directory: 7 49/49-13C/49-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 8 49/49-13C/49-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 49/49-1H/49-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 49/49-1H/49-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 937 50/ test 0: Phase 2.4 checking zip directory: 938 50/50-IR/ test 0: Phase 2.4 checking zip directory: 939 50/50-1H/ test 0: Phase 2.4 checking zip directory: 940 50/50-cosy/ test 0: Phase 2.4 checking zip directory: 941 50/50-13C/ test 0: Phase 2.4 checking zip directory: 944 50/50-hsqc/ test 0: Phase 2.4 checking zip directory: 945 50/50-X-ray/ test 0: Phase 2.4 checking zip directory: 946 50/50-hmbc/ test 0: Phase 2.4 checking zip directory: 7 50/50-13C/50-13C.zip|63/pdata/ test 0: Phase 2.4 checking zip directory: 8 50/50-13C/50-13C.zip|63/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 50/50-1H/50-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 7 50/50-1H/50-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 972 53/ test 0: Phase 2.4 checking zip directory: 976 53/53-IR/ test 0: Phase 2.4 checking zip directory: 977 53/53-X-ray/ test 0: Phase 2.4 checking zip directory: 981 54/ test 0: Phase 2.4 checking zip directory: 983 54/54-IR/ test 0: Phase 2.4 checking zip directory: 985 54/54-X-ray/ test 0: Phase 2.4 checking zip directory: 990 55/ test 0: Phase 2.4 checking zip directory: 991 55/55-IR/ test 0: Phase 2.4 checking zip directory: 995 55/55-X-ray/ test 0: Phase 2.4 checking zip directory: 999 56/ test 0: Phase 2.4 checking zip directory: 1002 56/56-X-ray/ test 0: Phase 2.4 checking zip directory: 1004 56/56-IR/ test 0: Phase 2.4 checking zip directory: 1006 56/56-comp/ test 0: Phase 2.4 checking zip directory: 1007 56/56-comp/10292/ test 0: Phase 2.4 checking zip directory: 1008 56/56-comp/10323/ test 0: Phase 2.4 checking zip directory: 1009 56/56-comp/10311/ test 0: Phase 2.4 checking zip directory: 1024 57/ test 0: Phase 2.4 checking zip directory: 1029 57/57-x-ray/ test 0: Phase 2.4 checking zip directory: 1030 57/57-IR/ test 0: Phase 2.4 checking zip directory: 1033 58/ test 0: Phase 2.4 checking zip directory: 1037 58/58-X-ray/ test 0: Phase 2.4 checking zip directory: 1038 58/58-IR/ test 0: Phase 2.4 checking zip directory: 1042 60/ test 0: Phase 2.4 checking zip directory: 1043 60/60-X-ray/ test 0: Phase 2.4 checking zip directory: 1044 60/60-IR/ test 0: Phase 2.4 checking zip directory: 1051 61/ test 0: Phase 2.4 checking zip directory: 1052 61/61-1H/ test 0: Phase 2.4 checking zip directory: 1055 61/61-IR/ test 0: Phase 2.4 checking zip directory: 1056 61/61-cosy/ test 0: Phase 2.4 checking zip directory: 1057 61/61-X-Ray/ test 0: Phase 2.4 checking zip directory: 1058 61/61-hmqc/ test 0: Phase 2.4 checking zip directory: 1060 61/61-hmbc/ test 0: Phase 2.4 checking zip directory: 1061 61/61-13C/ test 0: Phase 2.4 checking zip directory: 7 61/61-13C/61-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 8 61/61-13C/61-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 61/61-hmbc/61-hmbc.zip|25/pdata/ test 0: Phase 2.4 checking zip directory: 9 61/61-hmbc/61-hmbc.zip|25/pdata/1/ test 0: Phase 2.4 checking zip directory: 9 61/61-hmqc/61-hmqc.zip|24/pdata/ test 0: Phase 2.4 checking zip directory: 10 61/61-hmqc/61-hmqc.zip|24/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 61/61-cosy/61-cosy.zip|22/pdata/ test 0: Phase 2.4 checking zip directory: 9 61/61-cosy/61-cosy.zip|22/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 61/61-1H/61-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 61/61-1H/61-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 1086 62/ test 0: Phase 2.4 checking zip directory: 1089 62/62-X-Ray/ test 0: Phase 2.4 checking zip directory: 1091 62/62-hmbc/ test 0: Phase 2.4 checking zip directory: 1092 62/62-13C/ test 0: Phase 2.4 checking zip directory: 1094 62/62-cosy/ test 0: Phase 2.4 checking zip directory: 1095 62/62-hmqc/ test 0: Phase 2.4 checking zip directory: 1096 62/62-IR/ test 0: Phase 2.4 checking zip directory: 1098 62/62-1H/ test 0: Phase 2.4 checking zip directory: 7 62/62-1H/62-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 62/62-1H/62-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 62/62-cosy/62-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 62/62-cosy/62-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 62/62-13C/62-13C.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 9 62/62-13C/62-13C.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 1121 65/ test 0: Phase 2.4 checking zip directory: 1123 65/65-IR/ test 0: Phase 2.4 checking zip directory: 1125 65/65-X-ray/ test 0: Phase 2.4 checking zip directory: 1130 66/ test 0: Phase 2.4 checking zip directory: 1131 66/66-X-ray/ test 0: Phase 2.4 checking zip directory: 1136 66/66-IR/ test 0: Phase 2.4 checking zip directory: 1139 70/ test 0: Phase 2.4 checking zip directory: 1141 70/70-IR/ test 0: Phase 2.4 checking zip directory: 1143 70/70-X-ray/ test 0: Phase 2.4 checking zip directory: 1148 73/ test 0: Phase 2.4 checking zip directory: 1151 73/73-x-ray/ test 0: Phase 2.4 checking zip directory: 1153 74/ test 0: Phase 2.4 checking zip directory: 1155 74/74-x-ray/ test 0: Phase 2.4 checking zip directory: 1158 75/ test 0: Phase 2.4 checking zip directory: 1159 75/75-x-ray/ test 0: Phase 2.4 checking zip directory: 1161 76/ test 0: Phase 2.4 checking zip directory: 1163 76/76-x-ray/ test 0: Phase 2.4 checking zip directory: 1 5/ test 0: Phase 2.4 checking zip directory: 2 5/5-13C in dmso-d6/ test 0: Phase 2.4 checking zip directory: 4 5/5-1H in dmso-d6/ test 0: Phase 2.4 checking zip directory: 6 5/5-X-ray/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 9 5/5-IR/ test 0: Phase 2.4 checking zip directory: 12 5/5-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 6 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 8 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 9 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 31 6/ test 0: Phase 2.4 checking zip directory: 33 6/6-cosy in CDCl3/ test 0: Phase 2.4 checking zip directory: 35 6/6-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 36 6/6-IR/ test 0: Phase 2.4 checking zip directory: 39 6/6-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 40 6/6-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 41 6/6-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 42 6/6-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 44 6/6-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 7 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 9 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/1/ test 0: Phase 2.4 checking zip directory: 74 8/ test 0: Phase 2.4 checking zip directory: 75 8/8-IR/ test 0: Phase 2.4 checking zip directory: 78 8/8-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 80 8/8-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 81 8/8-hmqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 82 8/8-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 84 8/8-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 86 8/8-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 87 8/8-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 8 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 7 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 113 9/ test 0: Phase 2.4 checking zip directory: 114 9/9-enol-HMBC/ test 0: Phase 2.4 checking zip directory: 115 9/9-enol-13C/ test 0: Phase 2.4 checking zip directory: 116 9/9-IR/ test 0: Phase 2.4 checking zip directory: 118 9/9-enol-HSQC/ test 0: Phase 2.4 checking zip directory: 119 9/9-keto-13C/ test 0: Phase 2.4 checking zip directory: 120 9/9-enol-1H/ test 0: Phase 2.4 checking zip directory: 124 9/9-enol-HMQC/ test 0: Phase 2.4 checking zip directory: 126 9/9-enol-cosy/ test 0: Phase 2.4 checking zip directory: 127 9/9-enolHMBC/ test 0: Phase 2.4 checking zip directory: 129 9/9-keto-1H/ test 0: Phase 2.4 checking zip directory: 7 9/9-keto-1H/9-keto form 1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 9/9-keto-1H/9-keto form 1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 9/9-enol-1H/9-enol form 1H.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-1H/9-enol form 1H.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-keto-13C/9-keto form 13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-keto-13C/9-keto form 13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-13C/9-enol form 13C.zip|13/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-13C/9-enol form 13C.zip|13/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/1/ test 0: Phase 2.4 checking zip directory: 159 10/ test 0: Phase 2.4 checking zip directory: 160 10/10-cosy in CDCl3/ test 0: Phase 2.4 checking zip directory: 162 10/10-IR/ test 0: Phase 2.4 checking zip directory: 163 10/10-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 164 10/10-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 167 10/10-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 169 10/10-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 170 10/10-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 172 10/10-hmqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 173 10/10-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 7 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 9 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 203 11/ test 0: Phase 2.4 checking zip directory: 204 11/11-IR/ test 0: Phase 2.4 checking zip directory: 205 11/11-1H/ test 0: Phase 2.4 checking zip directory: 206 11/11-cosy/ test 0: Phase 2.4 checking zip directory: 209 11/11-hsqc/ test 0: Phase 2.4 checking zip directory: 210 11/11-X-ray/ test 0: Phase 2.4 checking zip directory: 213 11/11-hmbc/ test 0: Phase 2.4 checking zip directory: 215 11/11-13C/ test 0: Phase 2.4 checking zip directory: 8 11/11-13C/11-13C.zip|63/pdata/ test 0: Phase 2.4 checking zip directory: 9 11/11-13C/11-13C.zip|63/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 11/11-hmbc/11-hmbc.zip|64/pdata/ test 0: Phase 2.4 checking zip directory: 8 11/11-hmbc/11-hmbc.zip|64/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 11/11-1H/11-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 8 11/11-1H/11-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 238 12/ test 0: Phase 2.4 checking zip directory: 239 12/12-hmbc/ test 0: Phase 2.4 checking zip directory: 240 12/12-hsqc/ test 0: Phase 2.4 checking zip directory: 244 12/12-1H/ test 0: Phase 2.4 checking zip directory: 245 12/12-X-ray/ test 0: Phase 2.4 checking zip directory: 246 12/12-cosy/ test 0: Phase 2.4 checking zip directory: 247 12/12-13C/ test 0: Phase 2.4 checking zip directory: 248 12/12-IR/ test 0: Phase 2.4 checking zip directory: 7 12/12-13C/12-13C.zip|73/pdata/ test 0: Phase 2.4 checking zip directory: 8 12/12-13C/12-13C.zip|73/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 12/12-1H/12-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 7 12/12-1H/12-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 273 14/ test 0: Phase 2.4 checking zip directory: 274 14/14-1H/ test 0: Phase 2.4 checking zip directory: 275 14/14-IR/ test 0: Phase 2.4 checking zip directory: 276 14/14-hsqc/ test 0: Phase 2.4 checking zip directory: 278 14/14-hmbc/ test 0: Phase 2.4 checking zip directory: 279 14/14-cosy/ test 0: Phase 2.4 checking zip directory: 282 14/14-13C/ test 0: Phase 2.4 checking zip directory: 285 14/14-X-ray/ test 0: Phase 2.4 checking zip directory: 7 14/14-13C/14-13C.zip|93/pdata/ test 0: Phase 2.4 checking zip directory: 8 14/14-13C/14-13C.zip|93/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 14/14-1H/14-1H.zip|90/pdata/ test 0: Phase 2.4 checking zip directory: 7 14/14-1H/14-1H.zip|90/pdata/1/ test 0: Phase 2.4 checking zip directory: 308 15/ test 0: Phase 2.4 checking zip directory: 309 15/15-IR/ test 0: Phase 2.4 checking zip directory: 310 15/15-1H/ test 0: Phase 2.4 checking zip directory: 313 15/15-X-ray/ test 0: Phase 2.4 checking zip directory: 314 15/15-solvate-X-ray/ test 0: Phase 2.4 checking zip directory: 316 15/15-13C/ test 0: Phase 2.4 checking zip directory: 8 15/15-13C/15b-13C.zip|32/pdata/ test 0: Phase 2.4 checking zip directory: 9 15/15-13C/15b-13C.zip|32/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/ test 0: Phase 2.4 checking zip directory: 8 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/ test 0: Phase 2.4 checking zip directory: 8 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/1/ test 0: Phase 2.4 checking zip directory: 334 16/ test 0: Phase 2.4 checking zip directory: 337 16/16-hmbc/ test 0: Phase 2.4 checking zip directory: 340 16/16-1H/ test 0: Phase 2.4 checking zip directory: 341 16/16-13C/ test 0: Phase 2.4 checking zip directory: 342 16/16-X-ray/ test 0: Phase 2.4 checking zip directory: 344 16/16-IR/ test 0: Phase 2.4 checking zip directory: 345 16/16-hsqc/ test 0: Phase 2.4 checking zip directory: 8 16/16-13C/16-13C.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 9 16/16-13C/16-13C.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 16/16-1H/16-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 16/16-1H/16-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 364 17/ test 0: Phase 2.4 checking zip directory: 367 17/17-cosy/ test 0: Phase 2.4 checking zip directory: 369 17/17-hmbc/ test 0: Phase 2.4 checking zip directory: 370 17/17-X-ray/ test 0: Phase 2.4 checking zip directory: 371 17/17-hsqc/ test 0: Phase 2.4 checking zip directory: 372 17/17-IR/ test 0: Phase 2.4 checking zip directory: 374 17/17-13C/ test 0: Phase 2.4 checking zip directory: 375 17/17-1H/ test 0: Phase 2.4 checking zip directory: 7 17/17-1H/17-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 8 17/17-1H/17-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 9 17/17-13C/17-13C.zip|1/pdata/ test 0: Phase 2.4 checking zip directory: 10 17/17-13C/17-13C.zip|1/pdata/1/ test 0: Phase 2.4 checking zip directory: 399 18/ test 0: Phase 2.4 checking zip directory: 400 18/18-X-ray/ test 0: Phase 2.4 checking zip directory: 401 18/18-hsqc/ test 0: Phase 2.4 checking zip directory: 403 18/18-13C/ test 0: Phase 2.4 checking zip directory: 405 18/18-hmbc/ test 0: Phase 2.4 checking zip directory: 407 18/18-1H/ test 0: Phase 2.4 checking zip directory: 408 18/18-IR/ test 0: Phase 2.4 checking zip directory: 6 18/18-1H/18-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 7 18/18-1H/18-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 18/18-13C/18-13C.zip|71/pdata/ test 0: Phase 2.4 checking zip directory: 9 18/18-13C/18-13C.zip|71/pdata/1/ test 0: Phase 2.4 checking zip directory: 429 19/ test 0: Phase 2.4 checking zip directory: 431 19/19-hsqc/ test 0: Phase 2.4 checking zip directory: 434 19/19-13C/ test 0: Phase 2.4 checking zip directory: 436 19/19-X-ray/ test 0: Phase 2.4 checking zip directory: 437 19/19-hmbc/ test 0: Phase 2.4 checking zip directory: 438 19/19-IR/ test 0: Phase 2.4 checking zip directory: 439 19/19-1H/ test 0: Phase 2.4 checking zip directory: 6 19/19-1H/19-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 19/19-1H/19-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 19/19-13C/19-13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 19/19-13C/19-13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 459 20/ test 0: Phase 2.4 checking zip directory: 460 20/20-1H/ test 0: Phase 2.4 checking zip directory: 461 20/20-13C/ test 0: Phase 2.4 checking zip directory: 463 20/20-IR/ test 0: Phase 2.4 checking zip directory: 465 20/20-X-ray/ test 0: Phase 2.4 checking zip directory: 467 20/20-hmbc/ test 0: Phase 2.4 checking zip directory: 468 20/20-hsqc/ test 0: Phase 2.4 checking zip directory: 7 20/20-13C/20-13C.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 8 20/20-13C/20-13C.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 20/20-1H/20-1H.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 20/20-1H/20-1H.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 489 21/ test 0: Phase 2.4 checking zip directory: 490 21/21-13C/ test 0: Phase 2.4 checking zip directory: 492 21/21-IR/ test 0: Phase 2.4 checking zip directory: 493 21/21-X-ray/ test 0: Phase 2.4 checking zip directory: 494 21/21-1H/ test 0: Phase 2.4 checking zip directory: 495 21/21-cosy/ test 0: Phase 2.4 checking zip directory: 500 21/21-hmbc/ test 0: Phase 2.4 checking zip directory: 501 21/21-hsqc/ test 0: Phase 2.4 checking zip directory: 6 21/21-1H/21-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 7 21/21-1H/21-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 21/21-13C/21-13C.zip|1/pdata/ test 0: Phase 2.4 checking zip directory: 8 21/21-13C/21-13C.zip|1/pdata/1/ test 0: Phase 2.4 checking zip directory: 525 24/ test 0: Phase 2.4 checking zip directory: 527 24/24-hmbc/ test 0: Phase 2.4 checking zip directory: 528 24/24-1H/ test 0: Phase 2.4 checking zip directory: 530 24/24-13C/ test 0: Phase 2.4 checking zip directory: 531 24/24-IR/ test 0: Phase 2.4 checking zip directory: 532 24/24-X-ray/ test 0: Phase 2.4 checking zip directory: 533 24/24-hsqc/ test 0: Phase 2.4 checking zip directory: 537 24/24-cosy/ test 0: Phase 2.4 checking zip directory: 7 24/24-13C/24-13C.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 24/24-13C/24-13C.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 24/24-1H/24-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 24/24-1H/24-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 24/24-hmbc/24-hmbc.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 9 24/24-hmbc/24-hmbc.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 560 25/ test 0: Phase 2.4 checking zip directory: 562 25/25-X-ray/ test 0: Phase 2.4 checking zip directory: 563 25/25-IR/ test 0: Phase 2.4 checking zip directory: 565 25/25-1H/ test 0: Phase 2.4 checking zip directory: 566 25/25-hmbc/ test 0: Phase 2.4 checking zip directory: 567 25/25-13C/ test 0: Phase 2.4 checking zip directory: 568 25/25-hsqc/ test 0: Phase 2.4 checking zip directory: 572 25/25-cosy/ test 0: Phase 2.4 checking zip directory: 8 25/25-13C/25-13C.zip|73/pdata/ test 0: Phase 2.4 checking zip directory: 9 25/25-13C/25-13C.zip|73/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 25/25-1H/25-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 8 25/25-1H/25-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 595 28/ test 0: Phase 2.4 checking zip directory: 596 28/28-hmbc/ test 0: Phase 2.4 checking zip directory: 598 28/28-hsqc/ test 0: Phase 2.4 checking zip directory: 599 28/28-1H/ test 0: Phase 2.4 checking zip directory: 601 28/28-X-ray/ test 0: Phase 2.4 checking zip directory: 603 28/28-IR/ test 0: Phase 2.4 checking zip directory: 604 28/28-13C/ test 0: Phase 2.4 checking zip directory: 8 28/28-13C/28-13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 28/28-13C/28-13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 28/28-1H/28-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 28/28-1H/28-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 625 33/ test 0: Phase 2.4 checking zip directory: 628 33/33-acetone-d6/ test 0: Phase 2.4 checking zip directory: 629 33/33-CDCl3/ test 0: Phase 2.4 checking zip directory: 631 33/33-x-ray/ test 0: Phase 2.4 checking zip directory: 632 33/33-IR/ test 0: Phase 2.4 checking zip directory: 636 33/33-CDCl3/33-in CDCl3 hmbc/ test 0: Phase 2.4 checking zip directory: 637 33/33-CDCl3/33-in CDCl3 13C/ test 0: Phase 2.4 checking zip directory: 639 33/33-CDCl3/33-in CDCl3 1H/ test 0: Phase 2.4 checking zip directory: 640 33/33-CDCl3/33-in CDCl3 hmqc/ test 0: Phase 2.4 checking zip directory: 641 33/33-CDCl3/33-in CDCl3 cosy/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 662 33/33-acetone-d6/33-in acetone-d6 13C/ test 0: Phase 2.4 checking zip directory: 663 33/33-acetone-d6/33-in acetone-d6 hmbc/ test 0: Phase 2.4 checking zip directory: 664 33/33-acetone-d6/33-in acetone-d6 1H/ test 0: Phase 2.4 checking zip directory: 666 33/33-acetone-d6/33-in acetone-d6 hmqc/ test 0: Phase 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13C/34-in CDCl3 13C.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/1/ test 0: Phase 2.4 checking zip directory: 719 34/34-NMR-acetone-d6/34-in acetone-d6 13C/ test 0: Phase 2.4 checking zip directory: 720 34/34-NMR-acetone-d6/34-in acetone-d6 1H/ test 0: Phase 2.4 checking zip directory: 721 34/34-NMR-acetone-d6/34-in acetone-d6 hmbc/ test 0: Phase 2.4 checking zip directory: 722 34/34-NMR-acetone-d6/34-in acetone-d6 hsqc/ test 0: Phase 2.4 checking zip directory: 6 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/ test 0: Phase 2.4 checking zip directory: 7 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/ test 0: Phase 2.4 checking 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37/37-13C/37-3C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 776 38/ test 0: Phase 2.4 checking zip directory: 777 38/38-X-ray/ test 0: Phase 2.4 checking zip directory: 779 38/38-hmbc/ test 0: Phase 2.4 checking zip directory: 782 38/38-hmqc/ test 0: Phase 2.4 checking zip directory: 783 38/38-cosy/ test 0: Phase 2.4 checking zip directory: 784 38/38-1H/ test 0: Phase 2.4 checking zip directory: 786 38/38-IR/ test 0: Phase 2.4 checking zip directory: 788 38/38-13C/ test 0: Phase 2.4 checking zip directory: 7 38/38-13C/38-13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-13C/38-13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 38/38-1H/38-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 38/38-1H/38-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 38/38-cosy/38-cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-cosy/38-cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 38/38-hmbc/38-hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-hmbc/38-hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 811 39/ test 0: Phase 2.4 checking zip directory: 815 39/39-X-ray/ test 0: Phase 2.4 checking zip directory: 817 39/39-hmbc/ test 0: Phase 2.4 checking zip directory: 818 39/39b-X-ray/ test 0: Phase 2.4 checking zip directory: 819 39/39-IR/ test 0: Phase 2.4 checking zip directory: 820 39/39-1H/ test 0: Phase 2.4 checking zip directory: 821 39/39-cosy/ test 0: Phase 2.4 checking zip directory: 822 39/39-hmqc/ test 0: Phase 2.4 checking zip directory: 824 39/39-13C/ test 0: Phase 2.4 checking zip directory: 8 39/39-13C/39-13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 9 39/39-13C/39-13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-cosy/39-cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-cosy/39-cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-1H/39-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-1H/39-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-hmbc/39-hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-hmbc/39-hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 848 40/ test 0: Phase 2.4 checking zip directory: 849 40/40-IR/ test 0: Phase 2.4 checking zip directory: 850 40/40-1H/ test 0: Phase 2.4 checking zip directory: 851 40/40-X-ray/ test 0: Phase 2.4 checking zip directory: 854 40/40-13C/ test 0: Phase 2.4 checking zip directory: 856 40/40-cosy/ test 0: Phase 2.4 checking zip directory: 857 40/40-hmqc/ test 0: Phase 2.4 checking zip directory: 859 40/40-hmbc/ test 0: Phase 2.4 checking zip directory: 7 40/40-hmbc/40-hmbc.zip|24/pdata/ test 0: Phase 2.4 checking zip directory: 8 40/40-hmbc/40-hmbc.zip|24/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 40/40-cosy/40-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 40/40-cosy/40-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 40/40-13C/40-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 9 40/40-13C/40-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 40/40-1H/40-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 40/40-1H/40-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 883 42/ test 0: Phase 2.4 checking zip directory: 884 42/42-X-ray/ test 0: Phase 2.4 checking zip directory: 889 42/42-IR/ test 0: Phase 2.4 checking zip directory: 892 46/ test 0: Phase 2.4 checking zip directory: 894 46/46-X-ray/ test 0: Phase 2.4 checking zip directory: 897 46/46-IR/ test 0: Phase 2.4 checking zip directory: 901 49/ test 0: Phase 2.4 checking zip directory: 902 49/49-hmbc/ test 0: Phase 2.4 checking zip directory: 905 49/49-hsqc/ test 0: Phase 2.4 checking zip directory: 907 49/49-1H/ test 0: Phase 2.4 checking zip directory: 908 49/49-13C/ test 0: Phase 2.4 checking zip directory: 909 49/49-IR/ test 0: Phase 2.4 checking zip directory: 911 49/49-X-ray/ test 0: Phase 2.4 checking zip directory: 912 49/49-cosy/ test 0: Phase 2.4 checking zip directory: 7 49/49-13C/49-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 8 49/49-13C/49-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 49/49-1H/49-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 49/49-1H/49-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 937 50/ test 0: Phase 2.4 checking zip directory: 938 50/50-IR/ test 0: Phase 2.4 checking zip directory: 939 50/50-1H/ test 0: Phase 2.4 checking zip directory: 940 50/50-cosy/ test 0: Phase 2.4 checking zip directory: 941 50/50-13C/ test 0: Phase 2.4 checking zip directory: 944 50/50-hsqc/ test 0: Phase 2.4 checking zip directory: 945 50/50-X-ray/ test 0: Phase 2.4 checking zip directory: 946 50/50-hmbc/ test 0: Phase 2.4 checking zip directory: 7 50/50-13C/50-13C.zip|63/pdata/ test 0: Phase 2.4 checking zip directory: 8 50/50-13C/50-13C.zip|63/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 50/50-1H/50-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 7 50/50-1H/50-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 972 53/ test 0: Phase 2.4 checking zip directory: 976 53/53-IR/ test 0: Phase 2.4 checking zip directory: 977 53/53-X-ray/ test 0: Phase 2.4 checking zip directory: 981 54/ test 0: Phase 2.4 checking zip directory: 983 54/54-IR/ test 0: Phase 2.4 checking zip directory: 985 54/54-X-ray/ test 0: Phase 2.4 checking zip directory: 990 55/ test 0: Phase 2.4 checking zip directory: 991 55/55-IR/ test 0: Phase 2.4 checking zip directory: 995 55/55-X-ray/ test 0: Phase 2.4 checking zip directory: 999 56/ test 0: Phase 2.4 checking zip directory: 1002 56/56-X-ray/ test 0: Phase 2.4 checking zip directory: 1004 56/56-IR/ test 0: Phase 2.4 checking zip directory: 1006 56/56-comp/ test 0: Phase 2.4 checking zip directory: 1007 56/56-comp/10292/ test 0: Phase 2.4 checking zip directory: 1008 56/56-comp/10323/ test 0: Phase 2.4 checking zip directory: 1009 56/56-comp/10311/ test 0: Phase 2.4 checking zip directory: 1024 57/ test 0: Phase 2.4 checking zip directory: 1029 57/57-x-ray/ test 0: Phase 2.4 checking zip directory: 1030 57/57-IR/ test 0: Phase 2.4 checking zip directory: 1033 58/ test 0: Phase 2.4 checking zip directory: 1037 58/58-X-ray/ test 0: Phase 2.4 checking zip directory: 1038 58/58-IR/ test 0: Phase 2.4 checking zip directory: 1042 60/ test 0: Phase 2.4 checking zip directory: 1043 60/60-X-ray/ test 0: Phase 2.4 checking zip directory: 1044 60/60-IR/ test 0: Phase 2.4 checking zip directory: 1051 61/ test 0: Phase 2.4 checking zip directory: 1052 61/61-1H/ test 0: Phase 2.4 checking zip directory: 1055 61/61-IR/ test 0: Phase 2.4 checking zip directory: 1056 61/61-cosy/ test 0: Phase 2.4 checking zip directory: 1057 61/61-X-Ray/ test 0: Phase 2.4 checking zip directory: 1058 61/61-hmqc/ test 0: Phase 2.4 checking zip directory: 1060 61/61-hmbc/ test 0: Phase 2.4 checking zip directory: 1061 61/61-13C/ test 0: Phase 2.4 checking zip directory: 7 61/61-13C/61-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 8 61/61-13C/61-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 61/61-hmbc/61-hmbc.zip|25/pdata/ test 0: Phase 2.4 checking zip directory: 9 61/61-hmbc/61-hmbc.zip|25/pdata/1/ test 0: Phase 2.4 checking zip directory: 9 61/61-hmqc/61-hmqc.zip|24/pdata/ test 0: Phase 2.4 checking zip directory: 10 61/61-hmqc/61-hmqc.zip|24/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 61/61-cosy/61-cosy.zip|22/pdata/ test 0: Phase 2.4 checking zip directory: 9 61/61-cosy/61-cosy.zip|22/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 61/61-1H/61-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 61/61-1H/61-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 1086 62/ test 0: Phase 2.4 checking zip directory: 1089 62/62-X-Ray/ test 0: Phase 2.4 checking zip directory: 1091 62/62-hmbc/ test 0: Phase 2.4 checking zip directory: 1092 62/62-13C/ test 0: Phase 2.4 checking zip directory: 1094 62/62-cosy/ test 0: Phase 2.4 checking zip directory: 1095 62/62-hmqc/ test 0: Phase 2.4 checking zip directory: 1096 62/62-IR/ test 0: Phase 2.4 checking zip directory: 1098 62/62-1H/ test 0: Phase 2.4 checking zip directory: 7 62/62-1H/62-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 62/62-1H/62-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 62/62-cosy/62-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 62/62-cosy/62-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 62/62-13C/62-13C.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 9 62/62-13C/62-13C.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 1121 65/ test 0: Phase 2.4 checking zip directory: 1123 65/65-IR/ test 0: Phase 2.4 checking zip directory: 1125 65/65-X-ray/ test 0: Phase 2.4 checking zip directory: 1130 66/ test 0: Phase 2.4 checking zip directory: 1131 66/66-X-ray/ test 0: Phase 2.4 checking zip directory: 1136 66/66-IR/ test 0: Phase 2.4 checking zip directory: 1139 70/ test 0: Phase 2.4 checking zip directory: 1141 70/70-IR/ test 0: Phase 2.4 checking zip directory: 1143 70/70-X-ray/ test 0: Phase 2.4 checking zip directory: 1148 73/ test 0: Phase 2.4 checking zip directory: 1151 73/73-x-ray/ test 0: Phase 2.4 checking zip directory: 1153 74/ test 0: Phase 2.4 checking zip directory: 1155 74/74-x-ray/ test 0: Phase 2.4 checking zip directory: 1158 75/ test 0: Phase 2.4 checking zip directory: 1159 75/75-x-ray/ test 0: Phase 2.4 checking zip directory: 1161 76/ test 0: Phase 2.4 checking zip directory: 1163 76/76-x-ray/ test 0: Phase 2.4 checking zip directory: 1 5/ test 0: Phase 2.4 checking zip directory: 2 5/5-13C in dmso-d6/ test 0: Phase 2.4 checking zip directory: 4 5/5-1H in dmso-d6/ test 0: Phase 2.4 checking zip directory: 6 5/5-X-ray/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 9 5/5-IR/ test 0: Phase 2.4 checking zip directory: 12 5/5-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 6 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 8 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 9 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 31 6/ test 0: Phase 2.4 checking zip directory: 33 6/6-cosy in CDCl3/ test 0: Phase 2.4 checking zip directory: 35 6/6-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 36 6/6-IR/ test 0: Phase 2.4 checking zip directory: 39 6/6-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 40 6/6-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 41 6/6-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 42 6/6-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 44 6/6-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 7 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 9 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/1/ test 0: Phase 2.4 checking zip directory: 74 8/ test 0: Phase 2.4 checking zip directory: 75 8/8-IR/ test 0: Phase 2.4 checking zip directory: 78 8/8-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 80 8/8-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 81 8/8-hmqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 82 8/8-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 84 8/8-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 86 8/8-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 87 8/8-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 8 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 7 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 113 9/ test 0: Phase 2.4 checking zip directory: 114 9/9-enol-HMBC/ test 0: Phase 2.4 checking zip directory: 115 9/9-enol-13C/ test 0: Phase 2.4 checking zip directory: 116 9/9-IR/ test 0: Phase 2.4 checking zip directory: 118 9/9-enol-HSQC/ test 0: Phase 2.4 checking zip directory: 119 9/9-keto-13C/ test 0: Phase 2.4 checking zip directory: 120 9/9-enol-1H/ test 0: Phase 2.4 checking zip directory: 124 9/9-enol-HMQC/ test 0: Phase 2.4 checking zip directory: 126 9/9-enol-cosy/ test 0: Phase 2.4 checking zip directory: 127 9/9-enolHMBC/ test 0: Phase 2.4 checking zip directory: 129 9/9-keto-1H/ test 0: Phase 2.4 checking zip directory: 7 9/9-keto-1H/9-keto form 1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 9/9-keto-1H/9-keto form 1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 9/9-enol-1H/9-enol form 1H.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-1H/9-enol form 1H.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-keto-13C/9-keto form 13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-keto-13C/9-keto form 13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-13C/9-enol form 13C.zip|13/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-13C/9-enol form 13C.zip|13/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/1/ test 0: Phase 2.4 checking zip directory: 159 10/ test 0: Phase 2.4 checking zip directory: 160 10/10-cosy in CDCl3/ test 0: Phase 2.4 checking zip directory: 162 10/10-IR/ test 0: Phase 2.4 checking zip directory: 163 10/10-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 164 10/10-1H in CDCl3/ test 0: Phase 2.4 checking zip 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directory: 7 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 9 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 203 11/ test 0: Phase 2.4 checking zip directory: 204 11/11-IR/ test 0: Phase 2.4 checking zip directory: 205 11/11-1H/ test 0: Phase 2.4 checking zip directory: 206 11/11-cosy/ test 0: Phase 2.4 checking zip directory: 209 11/11-hsqc/ test 0: Phase 2.4 checking zip directory: 210 11/11-X-ray/ test 0: Phase 2.4 checking zip directory: 213 11/11-hmbc/ test 0: Phase 2.4 checking zip directory: 215 11/11-13C/ test 0: Phase 2.4 checking zip directory: 8 11/11-13C/11-13C.zip|63/pdata/ test 0: Phase 2.4 checking zip directory: 9 11/11-13C/11-13C.zip|63/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 11/11-hmbc/11-hmbc.zip|64/pdata/ test 0: Phase 2.4 checking zip directory: 8 11/11-hmbc/11-hmbc.zip|64/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 11/11-1H/11-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 8 11/11-1H/11-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 238 12/ test 0: Phase 2.4 checking zip directory: 239 12/12-hmbc/ test 0: Phase 2.4 checking zip directory: 240 12/12-hsqc/ test 0: Phase 2.4 checking zip directory: 244 12/12-1H/ test 0: Phase 2.4 checking zip directory: 245 12/12-X-ray/ test 0: Phase 2.4 checking zip directory: 246 12/12-cosy/ test 0: Phase 2.4 checking zip directory: 247 12/12-13C/ test 0: Phase 2.4 checking zip directory: 248 12/12-IR/ test 0: Phase 2.4 checking zip directory: 7 12/12-13C/12-13C.zip|73/pdata/ test 0: Phase 2.4 checking zip directory: 8 12/12-13C/12-13C.zip|73/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 12/12-1H/12-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 7 12/12-1H/12-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 273 14/ test 0: Phase 2.4 checking zip directory: 274 14/14-1H/ test 0: Phase 2.4 checking zip directory: 275 14/14-IR/ test 0: Phase 2.4 checking zip directory: 276 14/14-hsqc/ test 0: Phase 2.4 checking zip directory: 278 14/14-hmbc/ test 0: Phase 2.4 checking zip directory: 279 14/14-cosy/ test 0: Phase 2.4 checking zip directory: 282 14/14-13C/ test 0: Phase 2.4 checking zip directory: 285 14/14-X-ray/ test 0: Phase 2.4 checking zip directory: 7 14/14-13C/14-13C.zip|93/pdata/ test 0: Phase 2.4 checking zip directory: 8 14/14-13C/14-13C.zip|93/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 14/14-1H/14-1H.zip|90/pdata/ test 0: Phase 2.4 checking zip directory: 7 14/14-1H/14-1H.zip|90/pdata/1/ test 0: Phase 2.4 checking zip directory: 308 15/ test 0: Phase 2.4 checking zip directory: 309 15/15-IR/ test 0: Phase 2.4 checking zip directory: 310 15/15-1H/ test 0: Phase 2.4 checking zip directory: 313 15/15-X-ray/ test 0: Phase 2.4 checking zip directory: 314 15/15-solvate-X-ray/ test 0: Phase 2.4 checking zip directory: 316 15/15-13C/ test 0: Phase 2.4 checking zip directory: 8 15/15-13C/15b-13C.zip|32/pdata/ test 0: Phase 2.4 checking zip directory: 9 15/15-13C/15b-13C.zip|32/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/ test 0: Phase 2.4 checking zip directory: 8 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/ test 0: Phase 2.4 checking zip directory: 8 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/1/ test 0: Phase 2.4 checking zip directory: 334 16/ test 0: Phase 2.4 checking zip directory: 337 16/16-hmbc/ test 0: Phase 2.4 checking zip directory: 340 16/16-1H/ test 0: Phase 2.4 checking zip directory: 341 16/16-13C/ test 0: Phase 2.4 checking zip directory: 342 16/16-X-ray/ test 0: Phase 2.4 checking zip directory: 344 16/16-IR/ test 0: Phase 2.4 checking zip directory: 345 16/16-hsqc/ test 0: Phase 2.4 checking zip directory: 8 16/16-13C/16-13C.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 9 16/16-13C/16-13C.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 16/16-1H/16-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 16/16-1H/16-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 364 17/ test 0: Phase 2.4 checking zip directory: 367 17/17-cosy/ test 0: Phase 2.4 checking zip directory: 369 17/17-hmbc/ test 0: Phase 2.4 checking zip directory: 370 17/17-X-ray/ test 0: Phase 2.4 checking zip directory: 371 17/17-hsqc/ test 0: Phase 2.4 checking zip directory: 372 17/17-IR/ test 0: Phase 2.4 checking zip directory: 374 17/17-13C/ test 0: Phase 2.4 checking zip directory: 375 17/17-1H/ test 0: Phase 2.4 checking zip directory: 7 17/17-1H/17-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 8 17/17-1H/17-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 9 17/17-13C/17-13C.zip|1/pdata/ test 0: Phase 2.4 checking zip directory: 10 17/17-13C/17-13C.zip|1/pdata/1/ test 0: Phase 2.4 checking zip directory: 399 18/ test 0: Phase 2.4 checking zip directory: 400 18/18-X-ray/ test 0: Phase 2.4 checking zip directory: 401 18/18-hsqc/ test 0: Phase 2.4 checking zip directory: 403 18/18-13C/ test 0: Phase 2.4 checking zip directory: 405 18/18-hmbc/ test 0: Phase 2.4 checking zip directory: 407 18/18-1H/ test 0: Phase 2.4 checking zip directory: 408 18/18-IR/ test 0: Phase 2.4 checking zip directory: 6 18/18-1H/18-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 7 18/18-1H/18-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 18/18-13C/18-13C.zip|71/pdata/ test 0: Phase 2.4 checking zip directory: 9 18/18-13C/18-13C.zip|71/pdata/1/ test 0: Phase 2.4 checking zip directory: 429 19/ test 0: Phase 2.4 checking zip directory: 431 19/19-hsqc/ test 0: Phase 2.4 checking zip directory: 434 19/19-13C/ test 0: Phase 2.4 checking zip directory: 436 19/19-X-ray/ test 0: Phase 2.4 checking zip directory: 437 19/19-hmbc/ test 0: Phase 2.4 checking zip directory: 438 19/19-IR/ test 0: Phase 2.4 checking zip directory: 439 19/19-1H/ test 0: Phase 2.4 checking zip directory: 6 19/19-1H/19-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 19/19-1H/19-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 19/19-13C/19-13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 19/19-13C/19-13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 459 20/ test 0: Phase 2.4 checking zip directory: 460 20/20-1H/ test 0: Phase 2.4 checking zip directory: 461 20/20-13C/ test 0: Phase 2.4 checking zip directory: 463 20/20-IR/ test 0: Phase 2.4 checking zip directory: 465 20/20-X-ray/ test 0: Phase 2.4 checking zip directory: 467 20/20-hmbc/ test 0: Phase 2.4 checking zip directory: 468 20/20-hsqc/ test 0: Phase 2.4 checking zip directory: 7 20/20-13C/20-13C.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 8 20/20-13C/20-13C.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 20/20-1H/20-1H.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 20/20-1H/20-1H.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 489 21/ test 0: Phase 2.4 checking zip directory: 490 21/21-13C/ test 0: Phase 2.4 checking zip directory: 492 21/21-IR/ test 0: Phase 2.4 checking zip directory: 493 21/21-X-ray/ test 0: Phase 2.4 checking zip directory: 494 21/21-1H/ test 0: Phase 2.4 checking zip directory: 495 21/21-cosy/ test 0: Phase 2.4 checking zip directory: 500 21/21-hmbc/ test 0: Phase 2.4 checking zip directory: 501 21/21-hsqc/ test 0: Phase 2.4 checking zip directory: 6 21/21-1H/21-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 7 21/21-1H/21-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 21/21-13C/21-13C.zip|1/pdata/ test 0: Phase 2.4 checking zip directory: 8 21/21-13C/21-13C.zip|1/pdata/1/ test 0: Phase 2.4 checking zip directory: 525 24/ test 0: Phase 2.4 checking zip directory: 527 24/24-hmbc/ test 0: Phase 2.4 checking zip directory: 528 24/24-1H/ test 0: Phase 2.4 checking zip directory: 530 24/24-13C/ test 0: Phase 2.4 checking zip directory: 531 24/24-IR/ test 0: Phase 2.4 checking zip directory: 532 24/24-X-ray/ test 0: Phase 2.4 checking zip directory: 533 24/24-hsqc/ test 0: Phase 2.4 checking zip directory: 537 24/24-cosy/ test 0: Phase 2.4 checking zip directory: 7 24/24-13C/24-13C.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 24/24-13C/24-13C.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 24/24-1H/24-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 24/24-1H/24-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 24/24-hmbc/24-hmbc.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 9 24/24-hmbc/24-hmbc.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 560 25/ test 0: Phase 2.4 checking zip directory: 562 25/25-X-ray/ test 0: Phase 2.4 checking zip directory: 563 25/25-IR/ test 0: Phase 2.4 checking zip directory: 565 25/25-1H/ test 0: Phase 2.4 checking zip directory: 566 25/25-hmbc/ test 0: Phase 2.4 checking zip directory: 567 25/25-13C/ test 0: Phase 2.4 checking zip directory: 568 25/25-hsqc/ test 0: Phase 2.4 checking zip directory: 572 25/25-cosy/ test 0: Phase 2.4 checking zip directory: 8 25/25-13C/25-13C.zip|73/pdata/ test 0: Phase 2.4 checking zip directory: 9 25/25-13C/25-13C.zip|73/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 25/25-1H/25-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 8 25/25-1H/25-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 595 28/ test 0: Phase 2.4 checking zip directory: 596 28/28-hmbc/ test 0: Phase 2.4 checking zip directory: 598 28/28-hsqc/ test 0: Phase 2.4 checking zip directory: 599 28/28-1H/ test 0: Phase 2.4 checking zip directory: 601 28/28-X-ray/ test 0: Phase 2.4 checking zip directory: 603 28/28-IR/ test 0: Phase 2.4 checking zip directory: 604 28/28-13C/ test 0: Phase 2.4 checking zip directory: 8 28/28-13C/28-13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 28/28-13C/28-13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 28/28-1H/28-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 28/28-1H/28-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 625 33/ test 0: Phase 2.4 checking zip directory: 628 33/33-acetone-d6/ test 0: Phase 2.4 checking zip directory: 629 33/33-CDCl3/ test 0: Phase 2.4 checking zip directory: 631 33/33-x-ray/ test 0: Phase 2.4 checking zip directory: 632 33/33-IR/ test 0: Phase 2.4 checking zip directory: 636 33/33-CDCl3/33-in CDCl3 hmbc/ test 0: Phase 2.4 checking zip directory: 637 33/33-CDCl3/33-in CDCl3 13C/ test 0: Phase 2.4 checking zip directory: 639 33/33-CDCl3/33-in CDCl3 1H/ test 0: Phase 2.4 checking zip directory: 640 33/33-CDCl3/33-in CDCl3 hmqc/ test 0: Phase 2.4 checking zip directory: 641 33/33-CDCl3/33-in CDCl3 cosy/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 662 33/33-acetone-d6/33-in acetone-d6 13C/ test 0: Phase 2.4 checking zip directory: 663 33/33-acetone-d6/33-in acetone-d6 hmbc/ test 0: Phase 2.4 checking zip directory: 664 33/33-acetone-d6/33-in acetone-d6 1H/ test 0: Phase 2.4 checking zip directory: 666 33/33-acetone-d6/33-in acetone-d6 hmqc/ test 0: Phase 2.4 checking zip directory: 6 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/ test 0: Phase 2.4 checking zip directory: 7 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/ test 0: Phase 2.4 checking zip directory: 8 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/1/ test 0: Phase 2.4 checking zip directory: 683 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2.4 checking zip directory: 7 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/1/ test 0: Phase 2.4 checking zip directory: 741 37/ test 0: Phase 2.4 checking zip directory: 745 37/37-13C/ test 0: Phase 2.4 checking zip directory: 746 37/37-cosy/ test 0: Phase 2.4 checking zip directory: 747 37/37-X-ray/ test 0: Phase 2.4 checking zip directory: 749 37/37-hmbc/ test 0: Phase 2.4 checking zip directory: 750 37/37-IR/ test 0: Phase 2.4 checking zip directory: 752 37/37-hsqc/ test 0: Phase 2.4 checking zip directory: 753 37/37-1H/ test 0: Phase 2.4 checking zip directory: 6 37/37-1H/37-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 37/37-1H/37-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 37/37-cosy/37-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 37/37-cosy/37-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 37/37-13C/37-3C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 9 37/37-13C/37-3C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 776 38/ test 0: Phase 2.4 checking zip directory: 777 38/38-X-ray/ test 0: Phase 2.4 checking zip directory: 779 38/38-hmbc/ test 0: Phase 2.4 checking zip directory: 782 38/38-hmqc/ test 0: Phase 2.4 checking zip directory: 783 38/38-cosy/ test 0: Phase 2.4 checking zip directory: 784 38/38-1H/ test 0: Phase 2.4 checking zip directory: 786 38/38-IR/ test 0: Phase 2.4 checking zip directory: 788 38/38-13C/ test 0: Phase 2.4 checking zip directory: 7 38/38-13C/38-13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-13C/38-13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 38/38-1H/38-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 38/38-1H/38-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 38/38-cosy/38-cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-cosy/38-cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 38/38-hmbc/38-hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-hmbc/38-hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 811 39/ test 0: Phase 2.4 checking zip directory: 815 39/39-X-ray/ test 0: Phase 2.4 checking zip directory: 817 39/39-hmbc/ test 0: Phase 2.4 checking zip directory: 818 39/39b-X-ray/ test 0: Phase 2.4 checking zip directory: 819 39/39-IR/ test 0: Phase 2.4 checking zip directory: 820 39/39-1H/ test 0: Phase 2.4 checking zip directory: 821 39/39-cosy/ test 0: Phase 2.4 checking zip directory: 822 39/39-hmqc/ test 0: Phase 2.4 checking zip directory: 824 39/39-13C/ test 0: Phase 2.4 checking zip directory: 8 39/39-13C/39-13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 9 39/39-13C/39-13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-cosy/39-cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-cosy/39-cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-1H/39-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-1H/39-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-hmbc/39-hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-hmbc/39-hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 848 40/ test 0: Phase 2.4 checking zip directory: 849 40/40-IR/ test 0: Phase 2.4 checking zip directory: 850 40/40-1H/ test 0: Phase 2.4 checking zip directory: 851 40/40-X-ray/ test 0: Phase 2.4 checking zip directory: 854 40/40-13C/ test 0: Phase 2.4 checking zip directory: 856 40/40-cosy/ test 0: Phase 2.4 checking zip directory: 857 40/40-hmqc/ test 0: Phase 2.4 checking zip directory: 859 40/40-hmbc/ test 0: Phase 2.4 checking zip directory: 7 40/40-hmbc/40-hmbc.zip|24/pdata/ test 0: Phase 2.4 checking zip directory: 8 40/40-hmbc/40-hmbc.zip|24/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 40/40-cosy/40-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 40/40-cosy/40-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 40/40-13C/40-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 9 40/40-13C/40-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 40/40-1H/40-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 40/40-1H/40-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 883 42/ test 0: Phase 2.4 checking zip directory: 884 42/42-X-ray/ test 0: Phase 2.4 checking zip directory: 889 42/42-IR/ test 0: Phase 2.4 checking zip directory: 892 46/ test 0: Phase 2.4 checking zip directory: 894 46/46-X-ray/ test 0: Phase 2.4 checking zip directory: 897 46/46-IR/ test 0: Phase 2.4 checking zip directory: 901 49/ test 0: Phase 2.4 checking zip directory: 902 49/49-hmbc/ test 0: Phase 2.4 checking zip directory: 905 49/49-hsqc/ test 0: Phase 2.4 checking zip directory: 907 49/49-1H/ test 0: Phase 2.4 checking zip directory: 908 49/49-13C/ test 0: Phase 2.4 checking zip directory: 909 49/49-IR/ test 0: Phase 2.4 checking zip directory: 911 49/49-X-ray/ test 0: Phase 2.4 checking zip directory: 912 49/49-cosy/ test 0: Phase 2.4 checking zip directory: 7 49/49-13C/49-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 8 49/49-13C/49-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 49/49-1H/49-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 49/49-1H/49-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 937 50/ test 0: Phase 2.4 checking zip directory: 938 50/50-IR/ test 0: Phase 2.4 checking zip directory: 939 50/50-1H/ test 0: Phase 2.4 checking zip directory: 940 50/50-cosy/ test 0: Phase 2.4 checking zip directory: 941 50/50-13C/ test 0: Phase 2.4 checking zip directory: 944 50/50-hsqc/ test 0: Phase 2.4 checking zip directory: 945 50/50-X-ray/ test 0: Phase 2.4 checking zip directory: 946 50/50-hmbc/ test 0: Phase 2.4 checking zip directory: 7 50/50-13C/50-13C.zip|63/pdata/ test 0: Phase 2.4 checking zip directory: 8 50/50-13C/50-13C.zip|63/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 50/50-1H/50-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 7 50/50-1H/50-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 972 53/ test 0: Phase 2.4 checking zip directory: 976 53/53-IR/ test 0: Phase 2.4 checking zip directory: 977 53/53-X-ray/ test 0: Phase 2.4 checking zip directory: 981 54/ test 0: Phase 2.4 checking zip directory: 983 54/54-IR/ test 0: Phase 2.4 checking zip directory: 985 54/54-X-ray/ test 0: Phase 2.4 checking zip directory: 990 55/ test 0: Phase 2.4 checking zip directory: 991 55/55-IR/ test 0: Phase 2.4 checking zip directory: 995 55/55-X-ray/ test 0: Phase 2.4 checking zip directory: 999 56/ test 0: Phase 2.4 checking zip directory: 1002 56/56-X-ray/ test 0: Phase 2.4 checking zip directory: 1004 56/56-IR/ test 0: Phase 2.4 checking zip directory: 1006 56/56-comp/ test 0: Phase 2.4 checking zip directory: 1007 56/56-comp/10292/ test 0: Phase 2.4 checking zip directory: 1008 56/56-comp/10323/ test 0: Phase 2.4 checking zip directory: 1009 56/56-comp/10311/ test 0: Phase 2.4 checking zip directory: 1024 57/ test 0: Phase 2.4 checking zip directory: 1029 57/57-x-ray/ test 0: Phase 2.4 checking zip directory: 1030 57/57-IR/ test 0: Phase 2.4 checking zip directory: 1033 58/ test 0: Phase 2.4 checking zip directory: 1037 58/58-X-ray/ test 0: Phase 2.4 checking zip directory: 1038 58/58-IR/ test 0: Phase 2.4 checking zip directory: 1042 60/ test 0: Phase 2.4 checking zip directory: 1043 60/60-X-ray/ test 0: Phase 2.4 checking zip directory: 1044 60/60-IR/ test 0: Phase 2.4 checking zip directory: 1051 61/ test 0: Phase 2.4 checking zip directory: 1052 61/61-1H/ test 0: Phase 2.4 checking zip directory: 1055 61/61-IR/ test 0: Phase 2.4 checking zip directory: 1056 61/61-cosy/ test 0: Phase 2.4 checking zip directory: 1057 61/61-X-Ray/ test 0: Phase 2.4 checking zip directory: 1058 61/61-hmqc/ test 0: Phase 2.4 checking zip directory: 1060 61/61-hmbc/ test 0: Phase 2.4 checking zip directory: 1061 61/61-13C/ test 0: Phase 2.4 checking zip directory: 7 61/61-13C/61-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 8 61/61-13C/61-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 61/61-hmbc/61-hmbc.zip|25/pdata/ test 0: Phase 2.4 checking zip directory: 9 61/61-hmbc/61-hmbc.zip|25/pdata/1/ test 0: Phase 2.4 checking zip directory: 9 61/61-hmqc/61-hmqc.zip|24/pdata/ test 0: Phase 2.4 checking zip directory: 10 61/61-hmqc/61-hmqc.zip|24/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 61/61-cosy/61-cosy.zip|22/pdata/ test 0: Phase 2.4 checking zip directory: 9 61/61-cosy/61-cosy.zip|22/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 61/61-1H/61-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 61/61-1H/61-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 1086 62/ test 0: Phase 2.4 checking zip directory: 1089 62/62-X-Ray/ test 0: Phase 2.4 checking zip directory: 1091 62/62-hmbc/ test 0: Phase 2.4 checking zip directory: 1092 62/62-13C/ test 0: Phase 2.4 checking zip directory: 1094 62/62-cosy/ test 0: Phase 2.4 checking zip directory: 1095 62/62-hmqc/ test 0: Phase 2.4 checking zip directory: 1096 62/62-IR/ test 0: Phase 2.4 checking zip directory: 1098 62/62-1H/ test 0: Phase 2.4 checking zip directory: 7 62/62-1H/62-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 62/62-1H/62-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 62/62-cosy/62-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 62/62-cosy/62-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 62/62-13C/62-13C.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 9 62/62-13C/62-13C.zip|10/pdata/1/ test 0: Phase 2.4 checking 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directory: 2 5/5-13C in dmso-d6/ test 0: Phase 2.4 checking zip directory: 4 5/5-1H in dmso-d6/ test 0: Phase 2.4 checking zip directory: 6 5/5-X-ray/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 9 5/5-IR/ test 0: Phase 2.4 checking zip directory: 12 5/5-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 6 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 8 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 9 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 31 6/ test 0: Phase 2.4 checking zip directory: 33 6/6-cosy in CDCl3/ test 0: Phase 2.4 checking zip directory: 35 6/6-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 36 6/6-IR/ test 0: Phase 2.4 checking zip directory: 39 6/6-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 40 6/6-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 41 6/6-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 42 6/6-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 44 6/6-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 7 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 9 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/1/ test 0: Phase 2.4 checking zip directory: 74 8/ test 0: Phase 2.4 checking zip directory: 75 8/8-IR/ test 0: Phase 2.4 checking zip directory: 78 8/8-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 80 8/8-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 81 8/8-hmqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 82 8/8-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 84 8/8-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 86 8/8-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 87 8/8-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 8 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 7 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 113 9/ test 0: Phase 2.4 checking zip directory: 114 9/9-enol-HMBC/ test 0: Phase 2.4 checking zip directory: 115 9/9-enol-13C/ test 0: Phase 2.4 checking zip directory: 116 9/9-IR/ test 0: Phase 2.4 checking zip directory: 118 9/9-enol-HSQC/ test 0: Phase 2.4 checking zip directory: 119 9/9-keto-13C/ test 0: Phase 2.4 checking zip directory: 120 9/9-enol-1H/ test 0: Phase 2.4 checking zip directory: 124 9/9-enol-HMQC/ test 0: Phase 2.4 checking zip directory: 126 9/9-enol-cosy/ test 0: Phase 2.4 checking zip directory: 127 9/9-enolHMBC/ test 0: Phase 2.4 checking zip directory: 129 9/9-keto-1H/ test 0: Phase 2.4 checking zip directory: 7 9/9-keto-1H/9-keto form 1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 9/9-keto-1H/9-keto form 1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 9/9-enol-1H/9-enol form 1H.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-1H/9-enol form 1H.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-keto-13C/9-keto form 13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-keto-13C/9-keto form 13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-13C/9-enol form 13C.zip|13/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-13C/9-enol form 13C.zip|13/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/1/ test 0: Phase 2.4 checking zip directory: 159 10/ test 0: Phase 2.4 checking zip directory: 160 10/10-cosy in CDCl3/ test 0: Phase 2.4 checking zip directory: 162 10/10-IR/ test 0: Phase 2.4 checking zip directory: 163 10/10-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 164 10/10-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 167 10/10-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 169 10/10-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 170 10/10-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 172 10/10-hmqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 173 10/10-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 7 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 9 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 203 11/ test 0: Phase 2.4 checking zip directory: 204 11/11-IR/ test 0: Phase 2.4 checking zip directory: 205 11/11-1H/ test 0: Phase 2.4 checking zip directory: 206 11/11-cosy/ test 0: Phase 2.4 checking zip directory: 209 11/11-hsqc/ test 0: Phase 2.4 checking zip directory: 210 11/11-X-ray/ test 0: Phase 2.4 checking zip directory: 213 11/11-hmbc/ test 0: Phase 2.4 checking zip directory: 215 11/11-13C/ test 0: Phase 2.4 checking zip directory: 8 11/11-13C/11-13C.zip|63/pdata/ test 0: Phase 2.4 checking zip directory: 9 11/11-13C/11-13C.zip|63/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 11/11-hmbc/11-hmbc.zip|64/pdata/ test 0: Phase 2.4 checking zip directory: 8 11/11-hmbc/11-hmbc.zip|64/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 11/11-1H/11-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 8 11/11-1H/11-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 238 12/ test 0: Phase 2.4 checking zip directory: 239 12/12-hmbc/ test 0: Phase 2.4 checking zip directory: 240 12/12-hsqc/ test 0: Phase 2.4 checking zip directory: 244 12/12-1H/ test 0: Phase 2.4 checking zip directory: 245 12/12-X-ray/ test 0: Phase 2.4 checking zip directory: 246 12/12-cosy/ test 0: Phase 2.4 checking zip directory: 247 12/12-13C/ test 0: Phase 2.4 checking zip directory: 248 12/12-IR/ test 0: Phase 2.4 checking zip directory: 7 12/12-13C/12-13C.zip|73/pdata/ test 0: Phase 2.4 checking zip directory: 8 12/12-13C/12-13C.zip|73/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 12/12-1H/12-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 7 12/12-1H/12-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 273 14/ test 0: Phase 2.4 checking zip directory: 274 14/14-1H/ test 0: Phase 2.4 checking zip directory: 275 14/14-IR/ test 0: Phase 2.4 checking zip directory: 276 14/14-hsqc/ test 0: Phase 2.4 checking zip directory: 278 14/14-hmbc/ test 0: Phase 2.4 checking zip directory: 279 14/14-cosy/ test 0: Phase 2.4 checking zip directory: 282 14/14-13C/ test 0: Phase 2.4 checking zip directory: 285 14/14-X-ray/ test 0: Phase 2.4 checking zip directory: 7 14/14-13C/14-13C.zip|93/pdata/ test 0: Phase 2.4 checking zip directory: 8 14/14-13C/14-13C.zip|93/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 14/14-1H/14-1H.zip|90/pdata/ test 0: Phase 2.4 checking zip directory: 7 14/14-1H/14-1H.zip|90/pdata/1/ test 0: Phase 2.4 checking zip directory: 308 15/ test 0: Phase 2.4 checking zip directory: 309 15/15-IR/ test 0: Phase 2.4 checking zip directory: 310 15/15-1H/ test 0: Phase 2.4 checking zip directory: 313 15/15-X-ray/ test 0: Phase 2.4 checking zip directory: 314 15/15-solvate-X-ray/ test 0: Phase 2.4 checking zip directory: 316 15/15-13C/ test 0: Phase 2.4 checking zip directory: 8 15/15-13C/15b-13C.zip|32/pdata/ test 0: Phase 2.4 checking zip directory: 9 15/15-13C/15b-13C.zip|32/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/ test 0: Phase 2.4 checking zip directory: 8 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/ test 0: Phase 2.4 checking zip directory: 8 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/1/ test 0: Phase 2.4 checking zip directory: 334 16/ test 0: Phase 2.4 checking zip directory: 337 16/16-hmbc/ test 0: Phase 2.4 checking zip directory: 340 16/16-1H/ test 0: Phase 2.4 checking zip directory: 341 16/16-13C/ test 0: Phase 2.4 checking zip directory: 342 16/16-X-ray/ test 0: Phase 2.4 checking zip directory: 344 16/16-IR/ test 0: Phase 2.4 checking zip directory: 345 16/16-hsqc/ test 0: Phase 2.4 checking zip directory: 8 16/16-13C/16-13C.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 9 16/16-13C/16-13C.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 16/16-1H/16-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 16/16-1H/16-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 364 17/ test 0: Phase 2.4 checking zip directory: 367 17/17-cosy/ test 0: Phase 2.4 checking zip directory: 369 17/17-hmbc/ test 0: Phase 2.4 checking zip directory: 370 17/17-X-ray/ test 0: Phase 2.4 checking zip directory: 371 17/17-hsqc/ test 0: Phase 2.4 checking zip directory: 372 17/17-IR/ test 0: Phase 2.4 checking zip directory: 374 17/17-13C/ test 0: Phase 2.4 checking zip directory: 375 17/17-1H/ test 0: Phase 2.4 checking zip directory: 7 17/17-1H/17-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 8 17/17-1H/17-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 9 17/17-13C/17-13C.zip|1/pdata/ test 0: Phase 2.4 checking zip directory: 10 17/17-13C/17-13C.zip|1/pdata/1/ test 0: Phase 2.4 checking zip directory: 399 18/ test 0: Phase 2.4 checking zip directory: 400 18/18-X-ray/ test 0: Phase 2.4 checking zip directory: 401 18/18-hsqc/ test 0: Phase 2.4 checking zip directory: 403 18/18-13C/ test 0: Phase 2.4 checking zip directory: 405 18/18-hmbc/ test 0: Phase 2.4 checking zip directory: 407 18/18-1H/ test 0: Phase 2.4 checking zip directory: 408 18/18-IR/ test 0: Phase 2.4 checking zip directory: 6 18/18-1H/18-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 7 18/18-1H/18-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 18/18-13C/18-13C.zip|71/pdata/ test 0: Phase 2.4 checking zip directory: 9 18/18-13C/18-13C.zip|71/pdata/1/ test 0: Phase 2.4 checking zip directory: 429 19/ test 0: Phase 2.4 checking zip directory: 431 19/19-hsqc/ test 0: Phase 2.4 checking zip directory: 434 19/19-13C/ test 0: Phase 2.4 checking zip directory: 436 19/19-X-ray/ test 0: Phase 2.4 checking zip directory: 437 19/19-hmbc/ test 0: Phase 2.4 checking zip directory: 438 19/19-IR/ test 0: Phase 2.4 checking zip directory: 439 19/19-1H/ test 0: Phase 2.4 checking zip directory: 6 19/19-1H/19-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 19/19-1H/19-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 19/19-13C/19-13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 19/19-13C/19-13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 459 20/ test 0: Phase 2.4 checking zip directory: 460 20/20-1H/ test 0: Phase 2.4 checking zip directory: 461 20/20-13C/ test 0: Phase 2.4 checking zip directory: 463 20/20-IR/ test 0: Phase 2.4 checking zip directory: 465 20/20-X-ray/ test 0: Phase 2.4 checking zip directory: 467 20/20-hmbc/ test 0: Phase 2.4 checking zip directory: 468 20/20-hsqc/ test 0: Phase 2.4 checking zip directory: 7 20/20-13C/20-13C.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 8 20/20-13C/20-13C.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 20/20-1H/20-1H.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 20/20-1H/20-1H.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 489 21/ test 0: Phase 2.4 checking zip directory: 490 21/21-13C/ test 0: Phase 2.4 checking zip directory: 492 21/21-IR/ test 0: Phase 2.4 checking zip directory: 493 21/21-X-ray/ test 0: Phase 2.4 checking zip directory: 494 21/21-1H/ test 0: Phase 2.4 checking zip directory: 495 21/21-cosy/ test 0: Phase 2.4 checking zip directory: 500 21/21-hmbc/ test 0: Phase 2.4 checking zip directory: 501 21/21-hsqc/ test 0: Phase 2.4 checking zip directory: 6 21/21-1H/21-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 7 21/21-1H/21-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 21/21-13C/21-13C.zip|1/pdata/ test 0: Phase 2.4 checking zip directory: 8 21/21-13C/21-13C.zip|1/pdata/1/ test 0: Phase 2.4 checking zip directory: 525 24/ test 0: Phase 2.4 checking zip directory: 527 24/24-hmbc/ test 0: Phase 2.4 checking zip directory: 528 24/24-1H/ test 0: Phase 2.4 checking zip directory: 530 24/24-13C/ test 0: Phase 2.4 checking zip directory: 531 24/24-IR/ test 0: Phase 2.4 checking zip directory: 532 24/24-X-ray/ test 0: Phase 2.4 checking zip directory: 533 24/24-hsqc/ test 0: Phase 2.4 checking zip directory: 537 24/24-cosy/ test 0: Phase 2.4 checking zip directory: 7 24/24-13C/24-13C.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 24/24-13C/24-13C.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 24/24-1H/24-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 24/24-1H/24-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 24/24-hmbc/24-hmbc.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 9 24/24-hmbc/24-hmbc.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 560 25/ test 0: Phase 2.4 checking zip directory: 562 25/25-X-ray/ test 0: Phase 2.4 checking zip directory: 563 25/25-IR/ test 0: Phase 2.4 checking zip directory: 565 25/25-1H/ test 0: Phase 2.4 checking zip directory: 566 25/25-hmbc/ test 0: Phase 2.4 checking zip directory: 567 25/25-13C/ test 0: Phase 2.4 checking zip directory: 568 25/25-hsqc/ test 0: Phase 2.4 checking zip directory: 572 25/25-cosy/ test 0: Phase 2.4 checking zip directory: 8 25/25-13C/25-13C.zip|73/pdata/ test 0: Phase 2.4 checking zip directory: 9 25/25-13C/25-13C.zip|73/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 25/25-1H/25-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 8 25/25-1H/25-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 595 28/ test 0: Phase 2.4 checking zip directory: 596 28/28-hmbc/ test 0: Phase 2.4 checking zip directory: 598 28/28-hsqc/ test 0: Phase 2.4 checking zip directory: 599 28/28-1H/ test 0: Phase 2.4 checking zip directory: 601 28/28-X-ray/ test 0: Phase 2.4 checking zip directory: 603 28/28-IR/ test 0: Phase 2.4 checking zip directory: 604 28/28-13C/ test 0: Phase 2.4 checking zip directory: 8 28/28-13C/28-13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 28/28-13C/28-13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 28/28-1H/28-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 28/28-1H/28-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 625 33/ test 0: Phase 2.4 checking zip directory: 628 33/33-acetone-d6/ test 0: Phase 2.4 checking zip directory: 629 33/33-CDCl3/ test 0: Phase 2.4 checking zip directory: 631 33/33-x-ray/ test 0: Phase 2.4 checking zip directory: 632 33/33-IR/ test 0: Phase 2.4 checking zip directory: 636 33/33-CDCl3/33-in CDCl3 hmbc/ test 0: Phase 2.4 checking zip directory: 637 33/33-CDCl3/33-in CDCl3 13C/ test 0: Phase 2.4 checking zip directory: 639 33/33-CDCl3/33-in CDCl3 1H/ test 0: Phase 2.4 checking zip directory: 640 33/33-CDCl3/33-in CDCl3 hmqc/ test 0: Phase 2.4 checking zip directory: 641 33/33-CDCl3/33-in CDCl3 cosy/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 662 33/33-acetone-d6/33-in acetone-d6 13C/ test 0: Phase 2.4 checking zip directory: 663 33/33-acetone-d6/33-in acetone-d6 hmbc/ test 0: Phase 2.4 checking zip directory: 664 33/33-acetone-d6/33-in acetone-d6 1H/ test 0: Phase 2.4 checking zip directory: 666 33/33-acetone-d6/33-in acetone-d6 hmqc/ test 0: Phase 2.4 checking zip directory: 6 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/ test 0: Phase 2.4 checking zip directory: 7 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/ test 0: Phase 2.4 checking zip directory: 8 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/1/ test 0: Phase 2.4 checking zip directory: 683 34/ test 0: Phase 2.4 checking zip directory: 685 34/34-IR/ test 0: Phase 2.4 checking zip directory: 689 34/34-X-Ray/ test 0: Phase 2.4 checking zip directory: 690 34/34-NMR-acetone-d6/ test 0: Phase 2.4 checking zip directory: 691 34/34-NMR-CDCl3/ test 0: Phase 2.4 checking zip directory: 692 34/34-NMR-CDCl3/34-in CDCl3 hmbc/ test 0: Phase 2.4 checking zip directory: 693 34/34-NMR-CDCl3/34-in CDCl3 13C/ test 0: Phase 2.4 checking zip directory: 695 34/34-NMR-CDCl3/34-in CDCl3 hsqc/ test 0: Phase 2.4 checking zip directory: 696 34/34-NMR-CDCl3/34-in CDCl3 1H/ test 0: Phase 2.4 checking zip directory: 697 34/34-NMR-CDCl3/34-in CDCl3 cosy/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/1/ test 0: Phase 2.4 checking zip directory: 719 34/34-NMR-acetone-d6/34-in acetone-d6 13C/ test 0: Phase 2.4 checking zip directory: 720 34/34-NMR-acetone-d6/34-in acetone-d6 1H/ test 0: Phase 2.4 checking zip directory: 721 34/34-NMR-acetone-d6/34-in acetone-d6 hmbc/ test 0: Phase 2.4 checking zip directory: 722 34/34-NMR-acetone-d6/34-in acetone-d6 hsqc/ test 0: Phase 2.4 checking zip directory: 6 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/ test 0: Phase 2.4 checking zip directory: 7 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/1/ test 0: Phase 2.4 checking zip directory: 741 37/ test 0: Phase 2.4 checking zip directory: 745 37/37-13C/ test 0: Phase 2.4 checking zip directory: 746 37/37-cosy/ test 0: Phase 2.4 checking zip directory: 747 37/37-X-ray/ test 0: Phase 2.4 checking zip directory: 749 37/37-hmbc/ test 0: Phase 2.4 checking zip directory: 750 37/37-IR/ test 0: Phase 2.4 checking zip directory: 752 37/37-hsqc/ test 0: Phase 2.4 checking zip directory: 753 37/37-1H/ test 0: Phase 2.4 checking zip directory: 6 37/37-1H/37-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 37/37-1H/37-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 37/37-cosy/37-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 37/37-cosy/37-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 37/37-13C/37-3C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 9 37/37-13C/37-3C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 776 38/ test 0: Phase 2.4 checking zip directory: 777 38/38-X-ray/ test 0: Phase 2.4 checking zip directory: 779 38/38-hmbc/ test 0: Phase 2.4 checking zip directory: 782 38/38-hmqc/ test 0: Phase 2.4 checking zip directory: 783 38/38-cosy/ test 0: Phase 2.4 checking zip directory: 784 38/38-1H/ test 0: Phase 2.4 checking zip directory: 786 38/38-IR/ test 0: Phase 2.4 checking zip directory: 788 38/38-13C/ test 0: Phase 2.4 checking zip directory: 7 38/38-13C/38-13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-13C/38-13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 38/38-1H/38-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 38/38-1H/38-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 38/38-cosy/38-cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-cosy/38-cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 38/38-hmbc/38-hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-hmbc/38-hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 811 39/ test 0: Phase 2.4 checking zip directory: 815 39/39-X-ray/ test 0: Phase 2.4 checking zip directory: 817 39/39-hmbc/ test 0: Phase 2.4 checking zip directory: 818 39/39b-X-ray/ test 0: Phase 2.4 checking zip directory: 819 39/39-IR/ test 0: Phase 2.4 checking zip directory: 820 39/39-1H/ test 0: Phase 2.4 checking zip directory: 821 39/39-cosy/ test 0: Phase 2.4 checking zip directory: 822 39/39-hmqc/ test 0: Phase 2.4 checking zip 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50/50-cosy/ test 0: Phase 2.4 checking zip directory: 941 50/50-13C/ test 0: Phase 2.4 checking zip directory: 944 50/50-hsqc/ test 0: Phase 2.4 checking zip directory: 945 50/50-X-ray/ test 0: Phase 2.4 checking zip directory: 946 50/50-hmbc/ test 0: Phase 2.4 checking zip directory: 7 50/50-13C/50-13C.zip|63/pdata/ test 0: Phase 2.4 checking zip directory: 8 50/50-13C/50-13C.zip|63/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 50/50-1H/50-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 7 50/50-1H/50-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 972 53/ test 0: Phase 2.4 checking zip directory: 976 53/53-IR/ test 0: Phase 2.4 checking zip directory: 977 53/53-X-ray/ test 0: Phase 2.4 checking zip directory: 981 54/ test 0: Phase 2.4 checking zip directory: 983 54/54-IR/ test 0: Phase 2.4 checking zip directory: 985 54/54-X-ray/ test 0: Phase 2.4 checking zip directory: 990 55/ test 0: Phase 2.4 checking zip directory: 991 55/55-IR/ test 0: Phase 2.4 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directory: 1051 61/ test 0: Phase 2.4 checking zip directory: 1052 61/61-1H/ test 0: Phase 2.4 checking zip directory: 1055 61/61-IR/ test 0: Phase 2.4 checking zip directory: 1056 61/61-cosy/ test 0: Phase 2.4 checking zip directory: 1057 61/61-X-Ray/ test 0: Phase 2.4 checking zip directory: 1058 61/61-hmqc/ test 0: Phase 2.4 checking zip directory: 1060 61/61-hmbc/ test 0: Phase 2.4 checking zip directory: 1061 61/61-13C/ test 0: Phase 2.4 checking zip directory: 7 61/61-13C/61-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 8 61/61-13C/61-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 61/61-hmbc/61-hmbc.zip|25/pdata/ test 0: Phase 2.4 checking zip directory: 9 61/61-hmbc/61-hmbc.zip|25/pdata/1/ test 0: Phase 2.4 checking zip directory: 9 61/61-hmqc/61-hmqc.zip|24/pdata/ test 0: Phase 2.4 checking zip directory: 10 61/61-hmqc/61-hmqc.zip|24/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 61/61-cosy/61-cosy.zip|22/pdata/ test 0: Phase 2.4 checking zip directory: 9 61/61-cosy/61-cosy.zip|22/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 61/61-1H/61-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 61/61-1H/61-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 1086 62/ test 0: Phase 2.4 checking zip directory: 1089 62/62-X-Ray/ test 0: Phase 2.4 checking zip directory: 1091 62/62-hmbc/ test 0: Phase 2.4 checking zip directory: 1092 62/62-13C/ test 0: Phase 2.4 checking zip directory: 1094 62/62-cosy/ test 0: Phase 2.4 checking zip directory: 1095 62/62-hmqc/ test 0: Phase 2.4 checking zip directory: 1096 62/62-IR/ test 0: Phase 2.4 checking zip directory: 1098 62/62-1H/ test 0: Phase 2.4 checking zip directory: 7 62/62-1H/62-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 62/62-1H/62-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 62/62-cosy/62-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 62/62-cosy/62-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 62/62-13C/62-13C.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 9 62/62-13C/62-13C.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 1121 65/ test 0: Phase 2.4 checking zip directory: 1123 65/65-IR/ test 0: Phase 2.4 checking zip directory: 1125 65/65-X-ray/ test 0: Phase 2.4 checking zip directory: 1130 66/ test 0: Phase 2.4 checking zip directory: 1131 66/66-X-ray/ test 0: Phase 2.4 checking zip directory: 1136 66/66-IR/ test 0: Phase 2.4 checking zip directory: 1139 70/ test 0: Phase 2.4 checking zip directory: 1141 70/70-IR/ test 0: Phase 2.4 checking zip directory: 1143 70/70-X-ray/ test 0: Phase 2.4 checking zip directory: 1148 73/ test 0: Phase 2.4 checking zip directory: 1151 73/73-x-ray/ test 0: Phase 2.4 checking zip directory: 1153 74/ test 0: Phase 2.4 checking zip directory: 1155 74/74-x-ray/ test 0: Phase 2.4 checking zip directory: 1158 75/ test 0: Phase 2.4 checking zip directory: 1159 75/75-x-ray/ test 0: Phase 2.4 checking zip directory: 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dmso-d6.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 9 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 31 6/ test 0: Phase 2.4 checking zip directory: 33 6/6-cosy in CDCl3/ test 0: Phase 2.4 checking zip directory: 35 6/6-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 36 6/6-IR/ test 0: Phase 2.4 checking zip directory: 39 6/6-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 40 6/6-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 41 6/6-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 42 6/6-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 44 6/6-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 7 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 9 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/1/ test 0: Phase 2.4 checking zip directory: 74 8/ test 0: Phase 2.4 checking zip directory: 75 8/8-IR/ test 0: Phase 2.4 checking zip directory: 78 8/8-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 80 8/8-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 81 8/8-hmqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 82 8/8-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 84 8/8-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 86 8/8-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 87 8/8-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 8 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 7 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 113 9/ test 0: Phase 2.4 checking zip directory: 114 9/9-enol-HMBC/ test 0: Phase 2.4 checking zip directory: 115 9/9-enol-13C/ test 0: Phase 2.4 checking zip directory: 116 9/9-IR/ test 0: Phase 2.4 checking zip directory: 118 9/9-enol-HSQC/ test 0: Phase 2.4 checking zip directory: 119 9/9-keto-13C/ test 0: Phase 2.4 checking zip directory: 120 9/9-enol-1H/ test 0: Phase 2.4 checking zip directory: 124 9/9-enol-HMQC/ test 0: Phase 2.4 checking zip directory: 126 9/9-enol-cosy/ test 0: Phase 2.4 checking zip directory: 127 9/9-enolHMBC/ test 0: Phase 2.4 checking zip directory: 129 9/9-keto-1H/ test 0: Phase 2.4 checking zip directory: 7 9/9-keto-1H/9-keto form 1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 9/9-keto-1H/9-keto form 1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 9/9-enol-1H/9-enol form 1H.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-1H/9-enol form 1H.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-keto-13C/9-keto form 13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-keto-13C/9-keto form 13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-13C/9-enol form 13C.zip|13/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-13C/9-enol form 13C.zip|13/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/1/ test 0: Phase 2.4 checking zip directory: 159 10/ test 0: Phase 2.4 checking zip directory: 160 10/10-cosy in CDCl3/ test 0: Phase 2.4 checking zip directory: 162 10/10-IR/ test 0: Phase 2.4 checking zip directory: 163 10/10-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 164 10/10-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 167 10/10-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 169 10/10-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 170 10/10-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 172 10/10-hmqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 173 10/10-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 7 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 9 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 203 11/ test 0: Phase 2.4 checking zip directory: 204 11/11-IR/ test 0: Phase 2.4 checking zip directory: 205 11/11-1H/ test 0: Phase 2.4 checking zip directory: 206 11/11-cosy/ test 0: Phase 2.4 checking zip directory: 209 11/11-hsqc/ test 0: Phase 2.4 checking zip directory: 210 11/11-X-ray/ test 0: Phase 2.4 checking zip directory: 213 11/11-hmbc/ test 0: Phase 2.4 checking zip directory: 215 11/11-13C/ test 0: Phase 2.4 checking zip directory: 8 11/11-13C/11-13C.zip|63/pdata/ test 0: Phase 2.4 checking zip directory: 9 11/11-13C/11-13C.zip|63/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 11/11-hmbc/11-hmbc.zip|64/pdata/ test 0: Phase 2.4 checking zip directory: 8 11/11-hmbc/11-hmbc.zip|64/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 11/11-1H/11-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 8 11/11-1H/11-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 238 12/ test 0: Phase 2.4 checking zip directory: 239 12/12-hmbc/ test 0: Phase 2.4 checking zip directory: 240 12/12-hsqc/ test 0: Phase 2.4 checking zip directory: 244 12/12-1H/ test 0: Phase 2.4 checking zip directory: 245 12/12-X-ray/ test 0: Phase 2.4 checking zip directory: 246 12/12-cosy/ test 0: Phase 2.4 checking zip directory: 247 12/12-13C/ test 0: Phase 2.4 checking zip directory: 248 12/12-IR/ test 0: Phase 2.4 checking zip directory: 7 12/12-13C/12-13C.zip|73/pdata/ test 0: Phase 2.4 checking zip directory: 8 12/12-13C/12-13C.zip|73/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 12/12-1H/12-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 7 12/12-1H/12-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 273 14/ test 0: Phase 2.4 checking zip directory: 274 14/14-1H/ test 0: Phase 2.4 checking zip directory: 275 14/14-IR/ test 0: Phase 2.4 checking zip directory: 276 14/14-hsqc/ test 0: Phase 2.4 checking zip directory: 278 14/14-hmbc/ test 0: Phase 2.4 checking zip directory: 279 14/14-cosy/ test 0: Phase 2.4 checking zip directory: 282 14/14-13C/ test 0: Phase 2.4 checking zip directory: 285 14/14-X-ray/ test 0: Phase 2.4 checking zip directory: 7 14/14-13C/14-13C.zip|93/pdata/ test 0: Phase 2.4 checking zip directory: 8 14/14-13C/14-13C.zip|93/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 14/14-1H/14-1H.zip|90/pdata/ test 0: Phase 2.4 checking zip directory: 7 14/14-1H/14-1H.zip|90/pdata/1/ test 0: Phase 2.4 checking zip directory: 308 15/ test 0: Phase 2.4 checking zip directory: 309 15/15-IR/ test 0: Phase 2.4 checking zip directory: 310 15/15-1H/ test 0: Phase 2.4 checking zip directory: 313 15/15-X-ray/ test 0: Phase 2.4 checking zip directory: 314 15/15-solvate-X-ray/ test 0: Phase 2.4 checking zip directory: 316 15/15-13C/ test 0: Phase 2.4 checking zip directory: 8 15/15-13C/15b-13C.zip|32/pdata/ test 0: Phase 2.4 checking zip directory: 9 15/15-13C/15b-13C.zip|32/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/ test 0: Phase 2.4 checking zip directory: 8 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/ test 0: Phase 2.4 checking zip directory: 8 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/1/ test 0: Phase 2.4 checking zip directory: 334 16/ test 0: Phase 2.4 checking zip directory: 337 16/16-hmbc/ test 0: Phase 2.4 checking zip directory: 340 16/16-1H/ test 0: Phase 2.4 checking zip directory: 341 16/16-13C/ test 0: Phase 2.4 checking zip directory: 342 16/16-X-ray/ test 0: Phase 2.4 checking zip directory: 344 16/16-IR/ test 0: Phase 2.4 checking zip directory: 345 16/16-hsqc/ test 0: Phase 2.4 checking zip directory: 8 16/16-13C/16-13C.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 9 16/16-13C/16-13C.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 16/16-1H/16-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 16/16-1H/16-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 364 17/ test 0: Phase 2.4 checking zip directory: 367 17/17-cosy/ test 0: Phase 2.4 checking zip directory: 369 17/17-hmbc/ test 0: Phase 2.4 checking zip directory: 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18/18-1H/18-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 7 18/18-1H/18-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 18/18-13C/18-13C.zip|71/pdata/ test 0: Phase 2.4 checking zip directory: 9 18/18-13C/18-13C.zip|71/pdata/1/ test 0: Phase 2.4 checking zip directory: 429 19/ test 0: Phase 2.4 checking zip directory: 431 19/19-hsqc/ test 0: Phase 2.4 checking zip directory: 434 19/19-13C/ test 0: Phase 2.4 checking zip directory: 436 19/19-X-ray/ test 0: Phase 2.4 checking zip directory: 437 19/19-hmbc/ test 0: Phase 2.4 checking zip directory: 438 19/19-IR/ test 0: Phase 2.4 checking zip directory: 439 19/19-1H/ test 0: Phase 2.4 checking zip directory: 6 19/19-1H/19-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 19/19-1H/19-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 19/19-13C/19-13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 19/19-13C/19-13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 459 20/ test 0: Phase 2.4 checking zip directory: 460 20/20-1H/ test 0: Phase 2.4 checking zip directory: 461 20/20-13C/ test 0: Phase 2.4 checking zip directory: 463 20/20-IR/ test 0: Phase 2.4 checking zip directory: 465 20/20-X-ray/ test 0: Phase 2.4 checking zip directory: 467 20/20-hmbc/ test 0: Phase 2.4 checking zip directory: 468 20/20-hsqc/ test 0: Phase 2.4 checking zip directory: 7 20/20-13C/20-13C.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 8 20/20-13C/20-13C.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 20/20-1H/20-1H.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 20/20-1H/20-1H.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 489 21/ test 0: Phase 2.4 checking zip directory: 490 21/21-13C/ test 0: Phase 2.4 checking zip directory: 492 21/21-IR/ test 0: Phase 2.4 checking zip directory: 493 21/21-X-ray/ test 0: Phase 2.4 checking zip directory: 494 21/21-1H/ test 0: Phase 2.4 checking zip directory: 495 21/21-cosy/ test 0: Phase 2.4 checking zip directory: 500 21/21-hmbc/ test 0: Phase 2.4 checking zip directory: 501 21/21-hsqc/ test 0: Phase 2.4 checking zip directory: 6 21/21-1H/21-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 7 21/21-1H/21-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 21/21-13C/21-13C.zip|1/pdata/ test 0: Phase 2.4 checking zip directory: 8 21/21-13C/21-13C.zip|1/pdata/1/ test 0: Phase 2.4 checking zip directory: 525 24/ test 0: Phase 2.4 checking zip directory: 527 24/24-hmbc/ test 0: Phase 2.4 checking zip directory: 528 24/24-1H/ test 0: Phase 2.4 checking zip directory: 530 24/24-13C/ test 0: Phase 2.4 checking zip directory: 531 24/24-IR/ test 0: Phase 2.4 checking zip directory: 532 24/24-X-ray/ test 0: Phase 2.4 checking zip directory: 533 24/24-hsqc/ test 0: Phase 2.4 checking zip directory: 537 24/24-cosy/ test 0: Phase 2.4 checking zip directory: 7 24/24-13C/24-13C.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 24/24-13C/24-13C.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 24/24-1H/24-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 24/24-1H/24-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 24/24-hmbc/24-hmbc.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 9 24/24-hmbc/24-hmbc.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 560 25/ test 0: Phase 2.4 checking zip directory: 562 25/25-X-ray/ test 0: Phase 2.4 checking zip directory: 563 25/25-IR/ test 0: Phase 2.4 checking zip directory: 565 25/25-1H/ test 0: Phase 2.4 checking zip directory: 566 25/25-hmbc/ test 0: Phase 2.4 checking zip directory: 567 25/25-13C/ test 0: Phase 2.4 checking zip directory: 568 25/25-hsqc/ test 0: Phase 2.4 checking zip directory: 572 25/25-cosy/ test 0: Phase 2.4 checking zip directory: 8 25/25-13C/25-13C.zip|73/pdata/ test 0: Phase 2.4 checking zip directory: 9 25/25-13C/25-13C.zip|73/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 25/25-1H/25-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 8 25/25-1H/25-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 595 28/ test 0: Phase 2.4 checking zip directory: 596 28/28-hmbc/ test 0: Phase 2.4 checking zip directory: 598 28/28-hsqc/ test 0: Phase 2.4 checking zip directory: 599 28/28-1H/ test 0: Phase 2.4 checking zip directory: 601 28/28-X-ray/ test 0: Phase 2.4 checking zip directory: 603 28/28-IR/ test 0: Phase 2.4 checking zip directory: 604 28/28-13C/ test 0: Phase 2.4 checking zip directory: 8 28/28-13C/28-13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 28/28-13C/28-13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 28/28-1H/28-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 28/28-1H/28-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 625 33/ test 0: Phase 2.4 checking zip directory: 628 33/33-acetone-d6/ test 0: Phase 2.4 checking zip directory: 629 33/33-CDCl3/ test 0: Phase 2.4 checking zip directory: 631 33/33-x-ray/ test 0: Phase 2.4 checking zip directory: 632 33/33-IR/ test 0: Phase 2.4 checking zip directory: 636 33/33-CDCl3/33-in CDCl3 hmbc/ test 0: Phase 2.4 checking zip directory: 637 33/33-CDCl3/33-in CDCl3 13C/ test 0: Phase 2.4 checking zip directory: 639 33/33-CDCl3/33-in CDCl3 1H/ test 0: Phase 2.4 checking zip directory: 640 33/33-CDCl3/33-in CDCl3 hmqc/ test 0: Phase 2.4 checking zip directory: 641 33/33-CDCl3/33-in CDCl3 cosy/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 662 33/33-acetone-d6/33-in acetone-d6 13C/ test 0: Phase 2.4 checking zip directory: 663 33/33-acetone-d6/33-in acetone-d6 hmbc/ test 0: Phase 2.4 checking zip directory: 664 33/33-acetone-d6/33-in acetone-d6 1H/ test 0: Phase 2.4 checking zip directory: 666 33/33-acetone-d6/33-in acetone-d6 hmqc/ test 0: Phase 2.4 checking zip directory: 6 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/ test 0: Phase 2.4 checking zip directory: 7 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/ test 0: Phase 2.4 checking zip directory: 8 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/1/ test 0: Phase 2.4 checking zip directory: 683 34/ test 0: Phase 2.4 checking zip directory: 685 34/34-IR/ test 0: Phase 2.4 checking zip directory: 689 34/34-X-Ray/ test 0: Phase 2.4 checking zip directory: 690 34/34-NMR-acetone-d6/ test 0: Phase 2.4 checking zip directory: 691 34/34-NMR-CDCl3/ test 0: Phase 2.4 checking zip directory: 692 34/34-NMR-CDCl3/34-in CDCl3 hmbc/ test 0: Phase 2.4 checking zip directory: 693 34/34-NMR-CDCl3/34-in CDCl3 13C/ test 0: Phase 2.4 checking zip directory: 695 34/34-NMR-CDCl3/34-in CDCl3 hsqc/ test 0: Phase 2.4 checking zip directory: 696 34/34-NMR-CDCl3/34-in CDCl3 1H/ test 0: Phase 2.4 checking zip directory: 697 34/34-NMR-CDCl3/34-in CDCl3 cosy/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/1/ test 0: Phase 2.4 checking zip directory: 719 34/34-NMR-acetone-d6/34-in acetone-d6 13C/ test 0: Phase 2.4 checking zip directory: 720 34/34-NMR-acetone-d6/34-in acetone-d6 1H/ test 0: Phase 2.4 checking zip directory: 721 34/34-NMR-acetone-d6/34-in acetone-d6 hmbc/ test 0: Phase 2.4 checking zip directory: 722 34/34-NMR-acetone-d6/34-in acetone-d6 hsqc/ test 0: Phase 2.4 checking zip directory: 6 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/ test 0: Phase 2.4 checking zip directory: 7 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/1/ test 0: Phase 2.4 checking zip directory: 741 37/ test 0: Phase 2.4 checking zip directory: 745 37/37-13C/ test 0: Phase 2.4 checking zip directory: 746 37/37-cosy/ test 0: Phase 2.4 checking zip directory: 747 37/37-X-ray/ test 0: Phase 2.4 checking zip directory: 749 37/37-hmbc/ test 0: Phase 2.4 checking zip directory: 750 37/37-IR/ test 0: Phase 2.4 checking zip directory: 752 37/37-hsqc/ test 0: Phase 2.4 checking zip directory: 753 37/37-1H/ test 0: Phase 2.4 checking zip directory: 6 37/37-1H/37-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 37/37-1H/37-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 37/37-cosy/37-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 37/37-cosy/37-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 37/37-13C/37-3C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 9 37/37-13C/37-3C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 776 38/ test 0: Phase 2.4 checking zip directory: 777 38/38-X-ray/ test 0: Phase 2.4 checking zip directory: 779 38/38-hmbc/ test 0: Phase 2.4 checking zip directory: 782 38/38-hmqc/ test 0: Phase 2.4 checking zip directory: 783 38/38-cosy/ test 0: Phase 2.4 checking zip directory: 784 38/38-1H/ test 0: Phase 2.4 checking zip directory: 786 38/38-IR/ test 0: Phase 2.4 checking zip directory: 788 38/38-13C/ test 0: Phase 2.4 checking zip directory: 7 38/38-13C/38-13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-13C/38-13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 38/38-1H/38-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 38/38-1H/38-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 38/38-cosy/38-cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-cosy/38-cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 38/38-hmbc/38-hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-hmbc/38-hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 811 39/ test 0: Phase 2.4 checking zip directory: 815 39/39-X-ray/ test 0: Phase 2.4 checking zip directory: 817 39/39-hmbc/ test 0: Phase 2.4 checking zip directory: 818 39/39b-X-ray/ test 0: Phase 2.4 checking zip directory: 819 39/39-IR/ test 0: Phase 2.4 checking zip directory: 820 39/39-1H/ test 0: Phase 2.4 checking zip directory: 821 39/39-cosy/ test 0: Phase 2.4 checking zip directory: 822 39/39-hmqc/ test 0: Phase 2.4 checking zip directory: 824 39/39-13C/ test 0: Phase 2.4 checking zip directory: 8 39/39-13C/39-13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 9 39/39-13C/39-13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-cosy/39-cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-cosy/39-cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-1H/39-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-1H/39-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-hmbc/39-hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-hmbc/39-hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 848 40/ test 0: Phase 2.4 checking zip directory: 849 40/40-IR/ test 0: Phase 2.4 checking zip directory: 850 40/40-1H/ test 0: Phase 2.4 checking zip directory: 851 40/40-X-ray/ test 0: Phase 2.4 checking zip directory: 854 40/40-13C/ test 0: Phase 2.4 checking zip directory: 856 40/40-cosy/ test 0: Phase 2.4 checking zip directory: 857 40/40-hmqc/ test 0: Phase 2.4 checking zip directory: 859 40/40-hmbc/ test 0: Phase 2.4 checking zip directory: 7 40/40-hmbc/40-hmbc.zip|24/pdata/ test 0: Phase 2.4 checking zip directory: 8 40/40-hmbc/40-hmbc.zip|24/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 40/40-cosy/40-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 40/40-cosy/40-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 40/40-13C/40-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 9 40/40-13C/40-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 40/40-1H/40-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 40/40-1H/40-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 883 42/ test 0: Phase 2.4 checking zip directory: 884 42/42-X-ray/ test 0: Phase 2.4 checking zip directory: 889 42/42-IR/ test 0: Phase 2.4 checking zip directory: 892 46/ test 0: Phase 2.4 checking zip directory: 894 46/46-X-ray/ test 0: Phase 2.4 checking zip directory: 897 46/46-IR/ test 0: Phase 2.4 checking zip directory: 901 49/ test 0: Phase 2.4 checking zip directory: 902 49/49-hmbc/ test 0: Phase 2.4 checking zip directory: 905 49/49-hsqc/ test 0: Phase 2.4 checking zip directory: 907 49/49-1H/ test 0: Phase 2.4 checking zip directory: 908 49/49-13C/ test 0: Phase 2.4 checking zip directory: 909 49/49-IR/ test 0: Phase 2.4 checking zip directory: 911 49/49-X-ray/ test 0: Phase 2.4 checking zip directory: 912 49/49-cosy/ test 0: Phase 2.4 checking zip directory: 7 49/49-13C/49-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 8 49/49-13C/49-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 49/49-1H/49-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 49/49-1H/49-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 937 50/ test 0: Phase 2.4 checking zip directory: 938 50/50-IR/ test 0: Phase 2.4 checking zip directory: 939 50/50-1H/ test 0: Phase 2.4 checking zip directory: 940 50/50-cosy/ test 0: Phase 2.4 checking zip directory: 941 50/50-13C/ test 0: Phase 2.4 checking zip directory: 944 50/50-hsqc/ test 0: Phase 2.4 checking zip directory: 945 50/50-X-ray/ test 0: Phase 2.4 checking zip directory: 946 50/50-hmbc/ test 0: Phase 2.4 checking zip directory: 7 50/50-13C/50-13C.zip|63/pdata/ test 0: Phase 2.4 checking zip directory: 8 50/50-13C/50-13C.zip|63/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 50/50-1H/50-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 7 50/50-1H/50-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 972 53/ test 0: Phase 2.4 checking zip directory: 976 53/53-IR/ test 0: Phase 2.4 checking zip directory: 977 53/53-X-ray/ test 0: Phase 2.4 checking zip directory: 981 54/ test 0: Phase 2.4 checking zip directory: 983 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Phase 2.4 checking zip directory: 1042 60/ test 0: Phase 2.4 checking zip directory: 1043 60/60-X-ray/ test 0: Phase 2.4 checking zip directory: 1044 60/60-IR/ test 0: Phase 2.4 checking zip directory: 1051 61/ test 0: Phase 2.4 checking zip directory: 1052 61/61-1H/ test 0: Phase 2.4 checking zip directory: 1055 61/61-IR/ test 0: Phase 2.4 checking zip directory: 1056 61/61-cosy/ test 0: Phase 2.4 checking zip directory: 1057 61/61-X-Ray/ test 0: Phase 2.4 checking zip directory: 1058 61/61-hmqc/ test 0: Phase 2.4 checking zip directory: 1060 61/61-hmbc/ test 0: Phase 2.4 checking zip directory: 1061 61/61-13C/ test 0: Phase 2.4 checking zip directory: 7 61/61-13C/61-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 8 61/61-13C/61-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 61/61-hmbc/61-hmbc.zip|25/pdata/ test 0: Phase 2.4 checking zip directory: 9 61/61-hmbc/61-hmbc.zip|25/pdata/1/ test 0: Phase 2.4 checking zip directory: 9 61/61-hmqc/61-hmqc.zip|24/pdata/ test 0: Phase 2.4 checking zip directory: 10 61/61-hmqc/61-hmqc.zip|24/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 61/61-cosy/61-cosy.zip|22/pdata/ test 0: Phase 2.4 checking zip directory: 9 61/61-cosy/61-cosy.zip|22/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 61/61-1H/61-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 61/61-1H/61-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 1086 62/ test 0: Phase 2.4 checking zip directory: 1089 62/62-X-Ray/ test 0: Phase 2.4 checking zip directory: 1091 62/62-hmbc/ test 0: Phase 2.4 checking zip directory: 1092 62/62-13C/ test 0: Phase 2.4 checking zip directory: 1094 62/62-cosy/ test 0: Phase 2.4 checking zip directory: 1095 62/62-hmqc/ test 0: Phase 2.4 checking zip directory: 1096 62/62-IR/ test 0: Phase 2.4 checking zip directory: 1098 62/62-1H/ test 0: Phase 2.4 checking zip directory: 7 62/62-1H/62-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 62/62-1H/62-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 62/62-cosy/62-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 62/62-cosy/62-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 62/62-13C/62-13C.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 9 62/62-13C/62-13C.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 1121 65/ test 0: Phase 2.4 checking zip directory: 1123 65/65-IR/ test 0: Phase 2.4 checking zip directory: 1125 65/65-X-ray/ test 0: Phase 2.4 checking zip directory: 1130 66/ test 0: Phase 2.4 checking zip directory: 1131 66/66-X-ray/ test 0: Phase 2.4 checking zip directory: 1136 66/66-IR/ test 0: Phase 2.4 checking zip directory: 1139 70/ test 0: Phase 2.4 checking zip directory: 1141 70/70-IR/ test 0: Phase 2.4 checking zip directory: 1143 70/70-X-ray/ test 0: Phase 2.4 checking zip directory: 1148 73/ test 0: Phase 2.4 checking zip directory: 1151 73/73-x-ray/ test 0: Phase 2.4 checking zip directory: 1153 74/ test 0: Phase 2.4 checking zip directory: 1155 74/74-x-ray/ test 0: Phase 2.4 checking zip directory: 1158 75/ test 0: Phase 2.4 checking zip directory: 1159 75/75-x-ray/ test 0: Phase 2.4 checking zip directory: 1161 76/ test 0: Phase 2.4 checking zip directory: 1163 76/76-x-ray/ test 0: Phase 2.4 checking zip directory: 1 5/ test 0: Phase 2.4 checking zip directory: 2 5/5-13C in dmso-d6/ test 0: Phase 2.4 checking zip directory: 4 5/5-1H in dmso-d6/ test 0: Phase 2.4 checking zip directory: 6 5/5-X-ray/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 9 5/5-IR/ test 0: Phase 2.4 checking zip directory: 12 5/5-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 6 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 8 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 9 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 31 6/ test 0: Phase 2.4 checking zip directory: 33 6/6-cosy in CDCl3/ test 0: Phase 2.4 checking zip directory: 35 6/6-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 36 6/6-IR/ test 0: Phase 2.4 checking zip directory: 39 6/6-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 40 6/6-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 41 6/6-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 42 6/6-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 44 6/6-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 7 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 9 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/1/ test 0: Phase 2.4 checking zip directory: 74 8/ test 0: Phase 2.4 checking zip directory: 75 8/8-IR/ test 0: Phase 2.4 checking zip directory: 78 8/8-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 80 8/8-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 81 8/8-hmqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 82 8/8-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 84 8/8-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 86 8/8-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 87 8/8-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 8 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 7 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 113 9/ test 0: Phase 2.4 checking zip directory: 114 9/9-enol-HMBC/ test 0: Phase 2.4 checking zip directory: 115 9/9-enol-13C/ test 0: Phase 2.4 checking zip directory: 116 9/9-IR/ test 0: Phase 2.4 checking zip directory: 118 9/9-enol-HSQC/ test 0: Phase 2.4 checking zip directory: 119 9/9-keto-13C/ test 0: Phase 2.4 checking zip directory: 120 9/9-enol-1H/ test 0: Phase 2.4 checking zip directory: 124 9/9-enol-HMQC/ test 0: Phase 2.4 checking zip directory: 126 9/9-enol-cosy/ test 0: Phase 2.4 checking zip directory: 127 9/9-enolHMBC/ test 0: Phase 2.4 checking zip directory: 129 9/9-keto-1H/ test 0: Phase 2.4 checking zip directory: 7 9/9-keto-1H/9-keto form 1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 9/9-keto-1H/9-keto form 1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 9/9-enol-1H/9-enol form 1H.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-1H/9-enol form 1H.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-keto-13C/9-keto form 13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-keto-13C/9-keto form 13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-13C/9-enol form 13C.zip|13/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-13C/9-enol form 13C.zip|13/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/1/ test 0: Phase 2.4 checking zip directory: 159 10/ test 0: Phase 2.4 checking zip directory: 160 10/10-cosy in CDCl3/ test 0: Phase 2.4 checking zip directory: 162 10/10-IR/ test 0: Phase 2.4 checking zip directory: 163 10/10-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 164 10/10-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 167 10/10-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 169 10/10-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 170 10/10-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 172 10/10-hmqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 173 10/10-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 7 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 9 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 203 11/ test 0: Phase 2.4 checking zip directory: 204 11/11-IR/ test 0: Phase 2.4 checking zip directory: 205 11/11-1H/ test 0: Phase 2.4 checking zip directory: 206 11/11-cosy/ test 0: Phase 2.4 checking zip directory: 209 11/11-hsqc/ test 0: Phase 2.4 checking zip directory: 210 11/11-X-ray/ test 0: Phase 2.4 checking zip directory: 213 11/11-hmbc/ test 0: Phase 2.4 checking zip directory: 215 11/11-13C/ test 0: Phase 2.4 checking zip directory: 8 11/11-13C/11-13C.zip|63/pdata/ test 0: Phase 2.4 checking zip directory: 9 11/11-13C/11-13C.zip|63/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 11/11-hmbc/11-hmbc.zip|64/pdata/ test 0: Phase 2.4 checking zip directory: 8 11/11-hmbc/11-hmbc.zip|64/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 11/11-1H/11-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 8 11/11-1H/11-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 238 12/ test 0: Phase 2.4 checking zip directory: 239 12/12-hmbc/ test 0: Phase 2.4 checking zip directory: 240 12/12-hsqc/ test 0: Phase 2.4 checking zip directory: 244 12/12-1H/ test 0: Phase 2.4 checking zip directory: 245 12/12-X-ray/ test 0: Phase 2.4 checking zip directory: 246 12/12-cosy/ test 0: Phase 2.4 checking zip directory: 247 12/12-13C/ test 0: Phase 2.4 checking zip directory: 248 12/12-IR/ test 0: Phase 2.4 checking zip directory: 7 12/12-13C/12-13C.zip|73/pdata/ test 0: Phase 2.4 checking zip directory: 8 12/12-13C/12-13C.zip|73/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 12/12-1H/12-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 7 12/12-1H/12-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 273 14/ test 0: Phase 2.4 checking zip directory: 274 14/14-1H/ test 0: Phase 2.4 checking zip directory: 275 14/14-IR/ test 0: Phase 2.4 checking zip directory: 276 14/14-hsqc/ test 0: Phase 2.4 checking zip directory: 278 14/14-hmbc/ test 0: Phase 2.4 checking zip directory: 279 14/14-cosy/ test 0: Phase 2.4 checking zip directory: 282 14/14-13C/ test 0: Phase 2.4 checking zip directory: 285 14/14-X-ray/ test 0: Phase 2.4 checking zip directory: 7 14/14-13C/14-13C.zip|93/pdata/ test 0: Phase 2.4 checking zip directory: 8 14/14-13C/14-13C.zip|93/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 14/14-1H/14-1H.zip|90/pdata/ test 0: Phase 2.4 checking zip directory: 7 14/14-1H/14-1H.zip|90/pdata/1/ test 0: Phase 2.4 checking zip directory: 308 15/ test 0: Phase 2.4 checking zip directory: 309 15/15-IR/ test 0: Phase 2.4 checking zip directory: 310 15/15-1H/ test 0: Phase 2.4 checking zip directory: 313 15/15-X-ray/ test 0: Phase 2.4 checking zip directory: 314 15/15-solvate-X-ray/ test 0: Phase 2.4 checking zip directory: 316 15/15-13C/ test 0: Phase 2.4 checking zip directory: 8 15/15-13C/15b-13C.zip|32/pdata/ test 0: Phase 2.4 checking zip directory: 9 15/15-13C/15b-13C.zip|32/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/ test 0: Phase 2.4 checking zip directory: 8 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/ test 0: Phase 2.4 checking zip directory: 8 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/1/ test 0: Phase 2.4 checking zip directory: 334 16/ test 0: Phase 2.4 checking zip directory: 337 16/16-hmbc/ test 0: Phase 2.4 checking zip directory: 340 16/16-1H/ test 0: Phase 2.4 checking zip directory: 341 16/16-13C/ test 0: Phase 2.4 checking zip directory: 342 16/16-X-ray/ test 0: Phase 2.4 checking zip directory: 344 16/16-IR/ test 0: Phase 2.4 checking zip directory: 345 16/16-hsqc/ test 0: Phase 2.4 checking zip directory: 8 16/16-13C/16-13C.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 9 16/16-13C/16-13C.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 16/16-1H/16-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 16/16-1H/16-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 364 17/ test 0: Phase 2.4 checking zip directory: 367 17/17-cosy/ test 0: Phase 2.4 checking zip directory: 369 17/17-hmbc/ test 0: Phase 2.4 checking zip directory: 370 17/17-X-ray/ test 0: Phase 2.4 checking zip directory: 371 17/17-hsqc/ test 0: Phase 2.4 checking zip directory: 372 17/17-IR/ test 0: Phase 2.4 checking zip directory: 374 17/17-13C/ test 0: Phase 2.4 checking zip directory: 375 17/17-1H/ test 0: Phase 2.4 checking zip directory: 7 17/17-1H/17-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 8 17/17-1H/17-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 9 17/17-13C/17-13C.zip|1/pdata/ test 0: Phase 2.4 checking zip directory: 10 17/17-13C/17-13C.zip|1/pdata/1/ test 0: Phase 2.4 checking zip directory: 399 18/ test 0: Phase 2.4 checking zip directory: 400 18/18-X-ray/ test 0: Phase 2.4 checking zip directory: 401 18/18-hsqc/ test 0: Phase 2.4 checking zip directory: 403 18/18-13C/ test 0: Phase 2.4 checking zip directory: 405 18/18-hmbc/ test 0: Phase 2.4 checking zip directory: 407 18/18-1H/ test 0: Phase 2.4 checking zip directory: 408 18/18-IR/ test 0: Phase 2.4 checking zip directory: 6 18/18-1H/18-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 7 18/18-1H/18-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 18/18-13C/18-13C.zip|71/pdata/ test 0: Phase 2.4 checking zip directory: 9 18/18-13C/18-13C.zip|71/pdata/1/ test 0: Phase 2.4 checking zip directory: 429 19/ test 0: Phase 2.4 checking zip directory: 431 19/19-hsqc/ test 0: Phase 2.4 checking zip directory: 434 19/19-13C/ test 0: Phase 2.4 checking zip directory: 436 19/19-X-ray/ test 0: Phase 2.4 checking zip directory: 437 19/19-hmbc/ test 0: Phase 2.4 checking zip directory: 438 19/19-IR/ test 0: Phase 2.4 checking zip directory: 439 19/19-1H/ test 0: Phase 2.4 checking zip directory: 6 19/19-1H/19-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 19/19-1H/19-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 19/19-13C/19-13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 19/19-13C/19-13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 459 20/ test 0: Phase 2.4 checking zip directory: 460 20/20-1H/ test 0: Phase 2.4 checking zip directory: 461 20/20-13C/ test 0: Phase 2.4 checking zip directory: 463 20/20-IR/ test 0: Phase 2.4 checking zip directory: 465 20/20-X-ray/ test 0: Phase 2.4 checking zip directory: 467 20/20-hmbc/ test 0: Phase 2.4 checking zip directory: 468 20/20-hsqc/ test 0: Phase 2.4 checking zip directory: 7 20/20-13C/20-13C.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 8 20/20-13C/20-13C.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 20/20-1H/20-1H.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 20/20-1H/20-1H.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 489 21/ test 0: Phase 2.4 checking zip directory: 490 21/21-13C/ test 0: Phase 2.4 checking zip directory: 492 21/21-IR/ test 0: Phase 2.4 checking zip directory: 493 21/21-X-ray/ test 0: Phase 2.4 checking zip directory: 494 21/21-1H/ test 0: Phase 2.4 checking zip directory: 495 21/21-cosy/ test 0: Phase 2.4 checking zip directory: 500 21/21-hmbc/ test 0: Phase 2.4 checking zip directory: 501 21/21-hsqc/ test 0: Phase 2.4 checking zip directory: 6 21/21-1H/21-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 7 21/21-1H/21-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 21/21-13C/21-13C.zip|1/pdata/ test 0: Phase 2.4 checking zip directory: 8 21/21-13C/21-13C.zip|1/pdata/1/ test 0: Phase 2.4 checking zip directory: 525 24/ test 0: Phase 2.4 checking zip directory: 527 24/24-hmbc/ test 0: Phase 2.4 checking zip directory: 528 24/24-1H/ test 0: Phase 2.4 checking zip directory: 530 24/24-13C/ test 0: Phase 2.4 checking zip directory: 531 24/24-IR/ test 0: Phase 2.4 checking zip directory: 532 24/24-X-ray/ test 0: Phase 2.4 checking zip directory: 533 24/24-hsqc/ test 0: Phase 2.4 checking zip directory: 537 24/24-cosy/ test 0: Phase 2.4 checking zip directory: 7 24/24-13C/24-13C.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 24/24-13C/24-13C.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 24/24-1H/24-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 24/24-1H/24-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 24/24-hmbc/24-hmbc.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 9 24/24-hmbc/24-hmbc.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 560 25/ test 0: Phase 2.4 checking zip directory: 562 25/25-X-ray/ test 0: Phase 2.4 checking zip directory: 563 25/25-IR/ test 0: Phase 2.4 checking zip directory: 565 25/25-1H/ test 0: Phase 2.4 checking zip directory: 566 25/25-hmbc/ test 0: Phase 2.4 checking zip directory: 567 25/25-13C/ test 0: Phase 2.4 checking zip directory: 568 25/25-hsqc/ test 0: Phase 2.4 checking zip directory: 572 25/25-cosy/ test 0: Phase 2.4 checking zip directory: 8 25/25-13C/25-13C.zip|73/pdata/ test 0: Phase 2.4 checking zip directory: 9 25/25-13C/25-13C.zip|73/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 25/25-1H/25-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 8 25/25-1H/25-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 595 28/ test 0: Phase 2.4 checking zip directory: 596 28/28-hmbc/ test 0: Phase 2.4 checking zip directory: 598 28/28-hsqc/ test 0: Phase 2.4 checking zip directory: 599 28/28-1H/ test 0: Phase 2.4 checking zip directory: 601 28/28-X-ray/ test 0: Phase 2.4 checking zip directory: 603 28/28-IR/ test 0: Phase 2.4 checking zip directory: 604 28/28-13C/ test 0: Phase 2.4 checking zip directory: 8 28/28-13C/28-13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 28/28-13C/28-13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 28/28-1H/28-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 28/28-1H/28-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 625 33/ test 0: Phase 2.4 checking zip directory: 628 33/33-acetone-d6/ test 0: Phase 2.4 checking zip directory: 629 33/33-CDCl3/ test 0: Phase 2.4 checking zip directory: 631 33/33-x-ray/ test 0: Phase 2.4 checking zip directory: 632 33/33-IR/ test 0: Phase 2.4 checking zip directory: 636 33/33-CDCl3/33-in CDCl3 hmbc/ test 0: Phase 2.4 checking zip directory: 637 33/33-CDCl3/33-in CDCl3 13C/ test 0: Phase 2.4 checking zip directory: 639 33/33-CDCl3/33-in CDCl3 1H/ test 0: Phase 2.4 checking zip directory: 640 33/33-CDCl3/33-in CDCl3 hmqc/ test 0: Phase 2.4 checking zip directory: 641 33/33-CDCl3/33-in CDCl3 cosy/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 662 33/33-acetone-d6/33-in acetone-d6 13C/ test 0: Phase 2.4 checking zip directory: 663 33/33-acetone-d6/33-in acetone-d6 hmbc/ test 0: Phase 2.4 checking zip directory: 664 33/33-acetone-d6/33-in acetone-d6 1H/ test 0: Phase 2.4 checking zip directory: 666 33/33-acetone-d6/33-in acetone-d6 hmqc/ test 0: Phase 2.4 checking zip directory: 6 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/ test 0: Phase 2.4 checking zip directory: 7 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/ test 0: Phase 2.4 checking zip directory: 8 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/1/ test 0: Phase 2.4 checking zip directory: 683 34/ test 0: Phase 2.4 checking zip directory: 685 34/34-IR/ test 0: Phase 2.4 checking zip directory: 689 34/34-X-Ray/ test 0: Phase 2.4 checking zip directory: 690 34/34-NMR-acetone-d6/ test 0: Phase 2.4 checking zip directory: 691 34/34-NMR-CDCl3/ test 0: Phase 2.4 checking zip directory: 692 34/34-NMR-CDCl3/34-in CDCl3 hmbc/ test 0: Phase 2.4 checking zip directory: 693 34/34-NMR-CDCl3/34-in CDCl3 13C/ test 0: Phase 2.4 checking zip directory: 695 34/34-NMR-CDCl3/34-in CDCl3 hsqc/ test 0: Phase 2.4 checking zip directory: 696 34/34-NMR-CDCl3/34-in CDCl3 1H/ test 0: Phase 2.4 checking zip directory: 697 34/34-NMR-CDCl3/34-in CDCl3 cosy/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/1/ test 0: Phase 2.4 checking zip directory: 719 34/34-NMR-acetone-d6/34-in acetone-d6 13C/ test 0: Phase 2.4 checking zip directory: 720 34/34-NMR-acetone-d6/34-in acetone-d6 1H/ test 0: Phase 2.4 checking zip directory: 721 34/34-NMR-acetone-d6/34-in acetone-d6 hmbc/ test 0: Phase 2.4 checking zip directory: 722 34/34-NMR-acetone-d6/34-in acetone-d6 hsqc/ test 0: Phase 2.4 checking zip directory: 6 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/ test 0: Phase 2.4 checking zip directory: 7 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/1/ test 0: Phase 2.4 checking zip directory: 741 37/ test 0: Phase 2.4 checking zip directory: 745 37/37-13C/ test 0: Phase 2.4 checking zip directory: 746 37/37-cosy/ test 0: Phase 2.4 checking zip directory: 747 37/37-X-ray/ test 0: Phase 2.4 checking zip directory: 749 37/37-hmbc/ test 0: Phase 2.4 checking zip directory: 750 37/37-IR/ test 0: Phase 2.4 checking zip directory: 752 37/37-hsqc/ test 0: Phase 2.4 checking zip directory: 753 37/37-1H/ test 0: Phase 2.4 checking zip directory: 6 37/37-1H/37-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 37/37-1H/37-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 37/37-cosy/37-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 37/37-cosy/37-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 37/37-13C/37-3C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 9 37/37-13C/37-3C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 776 38/ test 0: Phase 2.4 checking zip directory: 777 38/38-X-ray/ test 0: Phase 2.4 checking zip directory: 779 38/38-hmbc/ test 0: Phase 2.4 checking zip directory: 782 38/38-hmqc/ test 0: Phase 2.4 checking zip directory: 783 38/38-cosy/ test 0: Phase 2.4 checking zip directory: 784 38/38-1H/ test 0: Phase 2.4 checking zip directory: 786 38/38-IR/ test 0: Phase 2.4 checking zip directory: 788 38/38-13C/ test 0: Phase 2.4 checking zip directory: 7 38/38-13C/38-13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-13C/38-13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 38/38-1H/38-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 38/38-1H/38-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 38/38-cosy/38-cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-cosy/38-cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 38/38-hmbc/38-hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-hmbc/38-hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 811 39/ test 0: Phase 2.4 checking zip directory: 815 39/39-X-ray/ test 0: Phase 2.4 checking zip directory: 817 39/39-hmbc/ test 0: Phase 2.4 checking zip directory: 818 39/39b-X-ray/ test 0: Phase 2.4 checking zip directory: 819 39/39-IR/ test 0: Phase 2.4 checking zip directory: 820 39/39-1H/ test 0: Phase 2.4 checking zip directory: 821 39/39-cosy/ test 0: Phase 2.4 checking zip directory: 822 39/39-hmqc/ test 0: Phase 2.4 checking zip directory: 824 39/39-13C/ test 0: Phase 2.4 checking zip directory: 8 39/39-13C/39-13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 9 39/39-13C/39-13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-cosy/39-cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-cosy/39-cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-1H/39-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-1H/39-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-hmbc/39-hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-hmbc/39-hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 848 40/ test 0: Phase 2.4 checking zip directory: 849 40/40-IR/ test 0: Phase 2.4 checking zip directory: 850 40/40-1H/ test 0: Phase 2.4 checking zip directory: 851 40/40-X-ray/ test 0: Phase 2.4 checking zip directory: 854 40/40-13C/ test 0: Phase 2.4 checking zip directory: 856 40/40-cosy/ test 0: Phase 2.4 checking zip directory: 857 40/40-hmqc/ test 0: Phase 2.4 checking zip directory: 859 40/40-hmbc/ test 0: Phase 2.4 checking zip directory: 7 40/40-hmbc/40-hmbc.zip|24/pdata/ test 0: Phase 2.4 checking zip directory: 8 40/40-hmbc/40-hmbc.zip|24/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 40/40-cosy/40-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 40/40-cosy/40-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 40/40-13C/40-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 9 40/40-13C/40-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 40/40-1H/40-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 40/40-1H/40-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 883 42/ test 0: Phase 2.4 checking zip directory: 884 42/42-X-ray/ test 0: Phase 2.4 checking zip directory: 889 42/42-IR/ test 0: Phase 2.4 checking zip directory: 892 46/ test 0: Phase 2.4 checking zip directory: 894 46/46-X-ray/ test 0: Phase 2.4 checking zip directory: 897 46/46-IR/ test 0: Phase 2.4 checking zip directory: 901 49/ test 0: Phase 2.4 checking zip directory: 902 49/49-hmbc/ test 0: Phase 2.4 checking zip directory: 905 49/49-hsqc/ test 0: Phase 2.4 checking zip directory: 907 49/49-1H/ test 0: Phase 2.4 checking zip directory: 908 49/49-13C/ test 0: Phase 2.4 checking zip directory: 909 49/49-IR/ test 0: Phase 2.4 checking zip directory: 911 49/49-X-ray/ test 0: Phase 2.4 checking zip directory: 912 49/49-cosy/ test 0: Phase 2.4 checking zip directory: 7 49/49-13C/49-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 8 49/49-13C/49-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 49/49-1H/49-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 49/49-1H/49-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 937 50/ test 0: Phase 2.4 checking zip directory: 938 50/50-IR/ test 0: Phase 2.4 checking zip directory: 939 50/50-1H/ test 0: Phase 2.4 checking zip directory: 940 50/50-cosy/ test 0: Phase 2.4 checking zip directory: 941 50/50-13C/ test 0: Phase 2.4 checking zip directory: 944 50/50-hsqc/ test 0: Phase 2.4 checking zip directory: 945 50/50-X-ray/ test 0: Phase 2.4 checking zip directory: 946 50/50-hmbc/ test 0: Phase 2.4 checking zip directory: 7 50/50-13C/50-13C.zip|63/pdata/ test 0: Phase 2.4 checking zip directory: 8 50/50-13C/50-13C.zip|63/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 50/50-1H/50-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 7 50/50-1H/50-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 972 53/ test 0: Phase 2.4 checking zip directory: 976 53/53-IR/ test 0: Phase 2.4 checking zip directory: 977 53/53-X-ray/ test 0: Phase 2.4 checking zip directory: 981 54/ test 0: Phase 2.4 checking zip directory: 983 54/54-IR/ test 0: Phase 2.4 checking zip directory: 985 54/54-X-ray/ test 0: Phase 2.4 checking zip directory: 990 55/ test 0: Phase 2.4 checking zip directory: 991 55/55-IR/ test 0: Phase 2.4 checking zip directory: 995 55/55-X-ray/ test 0: Phase 2.4 checking zip directory: 999 56/ test 0: Phase 2.4 checking zip directory: 1002 56/56-X-ray/ test 0: Phase 2.4 checking zip directory: 1004 56/56-IR/ test 0: Phase 2.4 checking zip directory: 1006 56/56-comp/ test 0: Phase 2.4 checking zip directory: 1007 56/56-comp/10292/ test 0: Phase 2.4 checking zip directory: 1008 56/56-comp/10323/ test 0: Phase 2.4 checking zip directory: 1009 56/56-comp/10311/ test 0: Phase 2.4 checking zip directory: 1024 57/ test 0: Phase 2.4 checking zip directory: 1029 57/57-x-ray/ test 0: Phase 2.4 checking zip directory: 1030 57/57-IR/ test 0: Phase 2.4 checking zip directory: 1033 58/ test 0: Phase 2.4 checking zip directory: 1037 58/58-X-ray/ test 0: Phase 2.4 checking zip directory: 1038 58/58-IR/ test 0: Phase 2.4 checking zip directory: 1042 60/ test 0: Phase 2.4 checking zip directory: 1043 60/60-X-ray/ test 0: Phase 2.4 checking zip directory: 1044 60/60-IR/ test 0: Phase 2.4 checking zip directory: 1051 61/ test 0: Phase 2.4 checking zip directory: 1052 61/61-1H/ test 0: Phase 2.4 checking zip directory: 1055 61/61-IR/ test 0: Phase 2.4 checking zip directory: 1056 61/61-cosy/ test 0: Phase 2.4 checking zip directory: 1057 61/61-X-Ray/ test 0: Phase 2.4 checking zip directory: 1058 61/61-hmqc/ test 0: Phase 2.4 checking zip directory: 1060 61/61-hmbc/ test 0: Phase 2.4 checking zip directory: 1061 61/61-13C/ test 0: Phase 2.4 checking zip directory: 7 61/61-13C/61-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 8 61/61-13C/61-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 61/61-hmbc/61-hmbc.zip|25/pdata/ test 0: Phase 2.4 checking zip directory: 9 61/61-hmbc/61-hmbc.zip|25/pdata/1/ test 0: Phase 2.4 checking zip directory: 9 61/61-hmqc/61-hmqc.zip|24/pdata/ test 0: Phase 2.4 checking zip directory: 10 61/61-hmqc/61-hmqc.zip|24/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 61/61-cosy/61-cosy.zip|22/pdata/ test 0: Phase 2.4 checking zip directory: 9 61/61-cosy/61-cosy.zip|22/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 61/61-1H/61-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 61/61-1H/61-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 1086 62/ test 0: Phase 2.4 checking zip directory: 1089 62/62-X-Ray/ test 0: Phase 2.4 checking zip directory: 1091 62/62-hmbc/ test 0: Phase 2.4 checking zip directory: 1092 62/62-13C/ test 0: Phase 2.4 checking zip directory: 1094 62/62-cosy/ test 0: Phase 2.4 checking zip directory: 1095 62/62-hmqc/ test 0: Phase 2.4 checking zip directory: 1096 62/62-IR/ test 0: Phase 2.4 checking zip directory: 1098 62/62-1H/ test 0: Phase 2.4 checking zip directory: 7 62/62-1H/62-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 62/62-1H/62-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 62/62-cosy/62-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 62/62-cosy/62-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 62/62-13C/62-13C.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 9 62/62-13C/62-13C.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 1121 65/ test 0: Phase 2.4 checking zip directory: 1123 65/65-IR/ test 0: Phase 2.4 checking zip directory: 1125 65/65-X-ray/ test 0: Phase 2.4 checking zip directory: 1130 66/ test 0: Phase 2.4 checking zip directory: 1131 66/66-X-ray/ test 0: Phase 2.4 checking zip directory: 1136 66/66-IR/ test 0: Phase 2.4 checking zip directory: 1139 70/ test 0: Phase 2.4 checking zip directory: 1141 70/70-IR/ test 0: Phase 2.4 checking zip directory: 1143 70/70-X-ray/ test 0: Phase 2.4 checking zip directory: 1148 73/ test 0: Phase 2.4 checking zip directory: 1151 73/73-x-ray/ test 0: Phase 2.4 checking zip directory: 1153 74/ test 0: Phase 2.4 checking zip directory: 1155 74/74-x-ray/ test 0: Phase 2.4 checking zip directory: 1158 75/ test 0: Phase 2.4 checking zip directory: 1159 75/75-x-ray/ test 0: Phase 2.4 checking zip directory: 1161 76/ test 0: Phase 2.4 checking zip directory: 1163 76/76-x-ray/ test 0: Phase 2.4 checking zip directory: 1 5/ test 0: Phase 2.4 checking zip directory: 2 5/5-13C in dmso-d6/ test 0: Phase 2.4 checking zip directory: 4 5/5-1H in dmso-d6/ test 0: Phase 2.4 checking zip directory: 6 5/5-X-ray/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 9 5/5-IR/ test 0: Phase 2.4 checking zip directory: 12 5/5-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 6 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 8 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 9 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 31 6/ test 0: Phase 2.4 checking zip directory: 33 6/6-cosy in CDCl3/ test 0: Phase 2.4 checking zip directory: 35 6/6-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 36 6/6-IR/ test 0: Phase 2.4 checking zip directory: 39 6/6-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 40 6/6-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 41 6/6-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 42 6/6-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 44 6/6-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 7 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 9 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/1/ test 0: Phase 2.4 checking zip directory: 74 8/ test 0: Phase 2.4 checking zip directory: 75 8/8-IR/ test 0: Phase 2.4 checking zip directory: 78 8/8-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 80 8/8-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 81 8/8-hmqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 82 8/8-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 84 8/8-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 86 8/8-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 87 8/8-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 8 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 7 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 113 9/ test 0: Phase 2.4 checking zip directory: 114 9/9-enol-HMBC/ test 0: Phase 2.4 checking zip directory: 115 9/9-enol-13C/ test 0: Phase 2.4 checking zip directory: 116 9/9-IR/ test 0: Phase 2.4 checking zip directory: 118 9/9-enol-HSQC/ test 0: Phase 2.4 checking zip directory: 119 9/9-keto-13C/ test 0: Phase 2.4 checking zip directory: 120 9/9-enol-1H/ test 0: Phase 2.4 checking zip directory: 124 9/9-enol-HMQC/ test 0: Phase 2.4 checking zip directory: 126 9/9-enol-cosy/ test 0: Phase 2.4 checking zip directory: 127 9/9-enolHMBC/ test 0: Phase 2.4 checking zip directory: 129 9/9-keto-1H/ test 0: Phase 2.4 checking zip directory: 7 9/9-keto-1H/9-keto form 1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 9/9-keto-1H/9-keto form 1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 9/9-enol-1H/9-enol form 1H.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-1H/9-enol form 1H.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-keto-13C/9-keto form 13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-keto-13C/9-keto form 13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-13C/9-enol form 13C.zip|13/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-13C/9-enol form 13C.zip|13/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/1/ test 0: Phase 2.4 checking zip directory: 159 10/ test 0: Phase 2.4 checking zip directory: 160 10/10-cosy in CDCl3/ test 0: Phase 2.4 checking zip directory: 162 10/10-IR/ test 0: Phase 2.4 checking zip directory: 163 10/10-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 164 10/10-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 167 10/10-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 169 10/10-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 170 10/10-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 172 10/10-hmqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 173 10/10-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 7 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 9 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 203 11/ test 0: Phase 2.4 checking zip directory: 204 11/11-IR/ test 0: Phase 2.4 checking zip directory: 205 11/11-1H/ test 0: Phase 2.4 checking zip directory: 206 11/11-cosy/ test 0: Phase 2.4 checking zip directory: 209 11/11-hsqc/ test 0: Phase 2.4 checking zip directory: 210 11/11-X-ray/ test 0: Phase 2.4 checking zip directory: 213 11/11-hmbc/ test 0: Phase 2.4 checking zip directory: 215 11/11-13C/ test 0: Phase 2.4 checking zip directory: 8 11/11-13C/11-13C.zip|63/pdata/ test 0: Phase 2.4 checking zip directory: 9 11/11-13C/11-13C.zip|63/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 11/11-hmbc/11-hmbc.zip|64/pdata/ test 0: Phase 2.4 checking zip directory: 8 11/11-hmbc/11-hmbc.zip|64/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 11/11-1H/11-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 8 11/11-1H/11-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 238 12/ test 0: Phase 2.4 checking zip directory: 239 12/12-hmbc/ test 0: Phase 2.4 checking zip directory: 240 12/12-hsqc/ test 0: Phase 2.4 checking zip directory: 244 12/12-1H/ test 0: Phase 2.4 checking zip directory: 245 12/12-X-ray/ test 0: Phase 2.4 checking zip directory: 246 12/12-cosy/ test 0: Phase 2.4 checking zip directory: 247 12/12-13C/ test 0: Phase 2.4 checking zip directory: 248 12/12-IR/ test 0: Phase 2.4 checking zip directory: 7 12/12-13C/12-13C.zip|73/pdata/ test 0: Phase 2.4 checking zip directory: 8 12/12-13C/12-13C.zip|73/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 12/12-1H/12-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 7 12/12-1H/12-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 273 14/ test 0: Phase 2.4 checking zip directory: 274 14/14-1H/ test 0: Phase 2.4 checking zip directory: 275 14/14-IR/ test 0: Phase 2.4 checking zip directory: 276 14/14-hsqc/ test 0: Phase 2.4 checking zip directory: 278 14/14-hmbc/ test 0: Phase 2.4 checking zip directory: 279 14/14-cosy/ test 0: Phase 2.4 checking zip directory: 282 14/14-13C/ test 0: Phase 2.4 checking zip directory: 285 14/14-X-ray/ test 0: Phase 2.4 checking zip directory: 7 14/14-13C/14-13C.zip|93/pdata/ test 0: Phase 2.4 checking zip directory: 8 14/14-13C/14-13C.zip|93/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 14/14-1H/14-1H.zip|90/pdata/ test 0: Phase 2.4 checking zip directory: 7 14/14-1H/14-1H.zip|90/pdata/1/ test 0: Phase 2.4 checking zip directory: 308 15/ test 0: Phase 2.4 checking zip directory: 309 15/15-IR/ test 0: Phase 2.4 checking zip directory: 310 15/15-1H/ test 0: Phase 2.4 checking zip directory: 313 15/15-X-ray/ test 0: Phase 2.4 checking zip directory: 314 15/15-solvate-X-ray/ test 0: Phase 2.4 checking zip directory: 316 15/15-13C/ test 0: Phase 2.4 checking zip directory: 8 15/15-13C/15b-13C.zip|32/pdata/ test 0: Phase 2.4 checking zip directory: 9 15/15-13C/15b-13C.zip|32/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/ test 0: Phase 2.4 checking zip directory: 8 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/ test 0: Phase 2.4 checking zip directory: 8 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/1/ test 0: Phase 2.4 checking zip directory: 334 16/ test 0: Phase 2.4 checking zip directory: 337 16/16-hmbc/ test 0: Phase 2.4 checking zip directory: 340 16/16-1H/ test 0: Phase 2.4 checking zip directory: 341 16/16-13C/ test 0: Phase 2.4 checking zip directory: 342 16/16-X-ray/ test 0: Phase 2.4 checking zip directory: 344 16/16-IR/ test 0: Phase 2.4 checking zip directory: 345 16/16-hsqc/ test 0: Phase 2.4 checking zip directory: 8 16/16-13C/16-13C.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 9 16/16-13C/16-13C.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 16/16-1H/16-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 16/16-1H/16-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 364 17/ test 0: Phase 2.4 checking zip directory: 367 17/17-cosy/ test 0: Phase 2.4 checking zip directory: 369 17/17-hmbc/ test 0: Phase 2.4 checking zip directory: 370 17/17-X-ray/ test 0: Phase 2.4 checking zip directory: 371 17/17-hsqc/ test 0: Phase 2.4 checking zip directory: 372 17/17-IR/ test 0: Phase 2.4 checking zip directory: 374 17/17-13C/ test 0: Phase 2.4 checking zip directory: 375 17/17-1H/ test 0: Phase 2.4 checking zip directory: 7 17/17-1H/17-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 8 17/17-1H/17-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 9 17/17-13C/17-13C.zip|1/pdata/ test 0: Phase 2.4 checking zip directory: 10 17/17-13C/17-13C.zip|1/pdata/1/ test 0: Phase 2.4 checking zip directory: 399 18/ test 0: Phase 2.4 checking zip directory: 400 18/18-X-ray/ test 0: Phase 2.4 checking zip directory: 401 18/18-hsqc/ test 0: Phase 2.4 checking zip directory: 403 18/18-13C/ test 0: Phase 2.4 checking zip directory: 405 18/18-hmbc/ test 0: Phase 2.4 checking zip directory: 407 18/18-1H/ test 0: Phase 2.4 checking zip directory: 408 18/18-IR/ test 0: Phase 2.4 checking zip directory: 6 18/18-1H/18-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 7 18/18-1H/18-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 18/18-13C/18-13C.zip|71/pdata/ test 0: Phase 2.4 checking zip directory: 9 18/18-13C/18-13C.zip|71/pdata/1/ test 0: Phase 2.4 checking zip directory: 429 19/ test 0: Phase 2.4 checking zip directory: 431 19/19-hsqc/ test 0: Phase 2.4 checking zip directory: 434 19/19-13C/ test 0: Phase 2.4 checking zip directory: 436 19/19-X-ray/ test 0: Phase 2.4 checking zip directory: 437 19/19-hmbc/ test 0: Phase 2.4 checking zip directory: 438 19/19-IR/ test 0: Phase 2.4 checking zip directory: 439 19/19-1H/ test 0: Phase 2.4 checking zip directory: 6 19/19-1H/19-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 19/19-1H/19-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 19/19-13C/19-13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 19/19-13C/19-13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 459 20/ test 0: Phase 2.4 checking zip directory: 460 20/20-1H/ test 0: Phase 2.4 checking zip directory: 461 20/20-13C/ test 0: Phase 2.4 checking zip directory: 463 20/20-IR/ test 0: Phase 2.4 checking zip directory: 465 20/20-X-ray/ test 0: Phase 2.4 checking zip directory: 467 20/20-hmbc/ test 0: Phase 2.4 checking zip directory: 468 20/20-hsqc/ test 0: Phase 2.4 checking zip directory: 7 20/20-13C/20-13C.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 8 20/20-13C/20-13C.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 20/20-1H/20-1H.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 20/20-1H/20-1H.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 489 21/ test 0: Phase 2.4 checking zip directory: 490 21/21-13C/ test 0: Phase 2.4 checking zip directory: 492 21/21-IR/ test 0: Phase 2.4 checking zip directory: 493 21/21-X-ray/ test 0: Phase 2.4 checking zip directory: 494 21/21-1H/ test 0: Phase 2.4 checking zip directory: 495 21/21-cosy/ test 0: Phase 2.4 checking zip directory: 500 21/21-hmbc/ test 0: Phase 2.4 checking zip directory: 501 21/21-hsqc/ test 0: Phase 2.4 checking zip directory: 6 21/21-1H/21-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 7 21/21-1H/21-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 21/21-13C/21-13C.zip|1/pdata/ test 0: Phase 2.4 checking zip directory: 8 21/21-13C/21-13C.zip|1/pdata/1/ test 0: Phase 2.4 checking zip directory: 525 24/ test 0: Phase 2.4 checking zip directory: 527 24/24-hmbc/ test 0: Phase 2.4 checking zip directory: 528 24/24-1H/ test 0: Phase 2.4 checking zip directory: 530 24/24-13C/ test 0: Phase 2.4 checking zip directory: 531 24/24-IR/ test 0: Phase 2.4 checking zip directory: 532 24/24-X-ray/ test 0: Phase 2.4 checking zip directory: 533 24/24-hsqc/ test 0: Phase 2.4 checking zip directory: 537 24/24-cosy/ test 0: Phase 2.4 checking zip directory: 7 24/24-13C/24-13C.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 24/24-13C/24-13C.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 24/24-1H/24-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 24/24-1H/24-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 24/24-hmbc/24-hmbc.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 9 24/24-hmbc/24-hmbc.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 560 25/ test 0: Phase 2.4 checking zip directory: 562 25/25-X-ray/ test 0: Phase 2.4 checking zip directory: 563 25/25-IR/ test 0: Phase 2.4 checking zip directory: 565 25/25-1H/ test 0: Phase 2.4 checking zip directory: 566 25/25-hmbc/ test 0: Phase 2.4 checking zip directory: 567 25/25-13C/ test 0: Phase 2.4 checking zip directory: 568 25/25-hsqc/ test 0: Phase 2.4 checking zip directory: 572 25/25-cosy/ test 0: Phase 2.4 checking zip directory: 8 25/25-13C/25-13C.zip|73/pdata/ test 0: Phase 2.4 checking zip directory: 9 25/25-13C/25-13C.zip|73/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 25/25-1H/25-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 8 25/25-1H/25-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 595 28/ test 0: Phase 2.4 checking zip directory: 596 28/28-hmbc/ test 0: Phase 2.4 checking zip directory: 598 28/28-hsqc/ test 0: Phase 2.4 checking zip directory: 599 28/28-1H/ test 0: Phase 2.4 checking zip directory: 601 28/28-X-ray/ test 0: Phase 2.4 checking zip directory: 603 28/28-IR/ test 0: Phase 2.4 checking zip directory: 604 28/28-13C/ test 0: Phase 2.4 checking zip directory: 8 28/28-13C/28-13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 28/28-13C/28-13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 28/28-1H/28-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 28/28-1H/28-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 625 33/ test 0: Phase 2.4 checking zip directory: 628 33/33-acetone-d6/ test 0: Phase 2.4 checking zip directory: 629 33/33-CDCl3/ test 0: Phase 2.4 checking zip directory: 631 33/33-x-ray/ test 0: Phase 2.4 checking zip directory: 632 33/33-IR/ test 0: Phase 2.4 checking zip directory: 636 33/33-CDCl3/33-in CDCl3 hmbc/ test 0: Phase 2.4 checking zip directory: 637 33/33-CDCl3/33-in CDCl3 13C/ test 0: Phase 2.4 checking zip directory: 639 33/33-CDCl3/33-in CDCl3 1H/ test 0: Phase 2.4 checking zip directory: 640 33/33-CDCl3/33-in CDCl3 hmqc/ test 0: Phase 2.4 checking zip directory: 641 33/33-CDCl3/33-in CDCl3 cosy/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 662 33/33-acetone-d6/33-in acetone-d6 13C/ test 0: Phase 2.4 checking zip directory: 663 33/33-acetone-d6/33-in acetone-d6 hmbc/ test 0: Phase 2.4 checking zip directory: 664 33/33-acetone-d6/33-in acetone-d6 1H/ test 0: Phase 2.4 checking zip directory: 666 33/33-acetone-d6/33-in acetone-d6 hmqc/ test 0: Phase 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13C/34-in CDCl3 13C.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/1/ test 0: Phase 2.4 checking zip directory: 719 34/34-NMR-acetone-d6/34-in acetone-d6 13C/ test 0: Phase 2.4 checking zip directory: 720 34/34-NMR-acetone-d6/34-in acetone-d6 1H/ test 0: Phase 2.4 checking zip directory: 721 34/34-NMR-acetone-d6/34-in acetone-d6 hmbc/ test 0: Phase 2.4 checking zip directory: 722 34/34-NMR-acetone-d6/34-in acetone-d6 hsqc/ test 0: Phase 2.4 checking zip directory: 6 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/ test 0: Phase 2.4 checking zip directory: 7 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/ test 0: Phase 2.4 checking 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37/37-13C/37-3C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 776 38/ test 0: Phase 2.4 checking zip directory: 777 38/38-X-ray/ test 0: Phase 2.4 checking zip directory: 779 38/38-hmbc/ test 0: Phase 2.4 checking zip directory: 782 38/38-hmqc/ test 0: Phase 2.4 checking zip directory: 783 38/38-cosy/ test 0: Phase 2.4 checking zip directory: 784 38/38-1H/ test 0: Phase 2.4 checking zip directory: 786 38/38-IR/ test 0: Phase 2.4 checking zip directory: 788 38/38-13C/ test 0: Phase 2.4 checking zip directory: 7 38/38-13C/38-13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-13C/38-13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 38/38-1H/38-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 38/38-1H/38-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 38/38-cosy/38-cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-cosy/38-cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 38/38-hmbc/38-hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-hmbc/38-hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 811 39/ test 0: Phase 2.4 checking zip directory: 815 39/39-X-ray/ test 0: Phase 2.4 checking zip directory: 817 39/39-hmbc/ test 0: Phase 2.4 checking zip directory: 818 39/39b-X-ray/ test 0: Phase 2.4 checking zip directory: 819 39/39-IR/ test 0: Phase 2.4 checking zip directory: 820 39/39-1H/ test 0: Phase 2.4 checking zip directory: 821 39/39-cosy/ test 0: Phase 2.4 checking zip directory: 822 39/39-hmqc/ test 0: Phase 2.4 checking zip directory: 824 39/39-13C/ test 0: Phase 2.4 checking zip directory: 8 39/39-13C/39-13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 9 39/39-13C/39-13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-cosy/39-cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-cosy/39-cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-1H/39-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-1H/39-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-hmbc/39-hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-hmbc/39-hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 848 40/ test 0: Phase 2.4 checking zip directory: 849 40/40-IR/ test 0: Phase 2.4 checking zip directory: 850 40/40-1H/ test 0: Phase 2.4 checking zip directory: 851 40/40-X-ray/ test 0: Phase 2.4 checking zip directory: 854 40/40-13C/ test 0: Phase 2.4 checking zip directory: 856 40/40-cosy/ test 0: Phase 2.4 checking zip directory: 857 40/40-hmqc/ test 0: Phase 2.4 checking zip directory: 859 40/40-hmbc/ test 0: Phase 2.4 checking zip directory: 7 40/40-hmbc/40-hmbc.zip|24/pdata/ test 0: Phase 2.4 checking zip directory: 8 40/40-hmbc/40-hmbc.zip|24/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 40/40-cosy/40-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 40/40-cosy/40-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 40/40-13C/40-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 9 40/40-13C/40-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 40/40-1H/40-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 40/40-1H/40-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 883 42/ test 0: Phase 2.4 checking zip directory: 884 42/42-X-ray/ test 0: Phase 2.4 checking zip directory: 889 42/42-IR/ test 0: Phase 2.4 checking zip directory: 892 46/ test 0: Phase 2.4 checking zip directory: 894 46/46-X-ray/ test 0: Phase 2.4 checking zip directory: 897 46/46-IR/ test 0: Phase 2.4 checking zip directory: 901 49/ test 0: Phase 2.4 checking zip directory: 902 49/49-hmbc/ test 0: Phase 2.4 checking zip directory: 905 49/49-hsqc/ test 0: Phase 2.4 checking zip directory: 907 49/49-1H/ test 0: Phase 2.4 checking zip directory: 908 49/49-13C/ test 0: Phase 2.4 checking zip directory: 909 49/49-IR/ test 0: Phase 2.4 checking zip directory: 911 49/49-X-ray/ test 0: Phase 2.4 checking zip directory: 912 49/49-cosy/ test 0: Phase 2.4 checking zip directory: 7 49/49-13C/49-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 8 49/49-13C/49-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 49/49-1H/49-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 49/49-1H/49-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 937 50/ test 0: Phase 2.4 checking zip directory: 938 50/50-IR/ test 0: Phase 2.4 checking zip directory: 939 50/50-1H/ test 0: Phase 2.4 checking zip directory: 940 50/50-cosy/ test 0: Phase 2.4 checking zip directory: 941 50/50-13C/ test 0: Phase 2.4 checking zip directory: 944 50/50-hsqc/ test 0: Phase 2.4 checking zip directory: 945 50/50-X-ray/ test 0: Phase 2.4 checking zip directory: 946 50/50-hmbc/ test 0: Phase 2.4 checking zip directory: 7 50/50-13C/50-13C.zip|63/pdata/ test 0: Phase 2.4 checking zip directory: 8 50/50-13C/50-13C.zip|63/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 50/50-1H/50-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 7 50/50-1H/50-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 972 53/ test 0: Phase 2.4 checking zip directory: 976 53/53-IR/ test 0: Phase 2.4 checking zip directory: 977 53/53-X-ray/ test 0: Phase 2.4 checking zip directory: 981 54/ test 0: Phase 2.4 checking zip directory: 983 54/54-IR/ test 0: Phase 2.4 checking zip directory: 985 54/54-X-ray/ test 0: Phase 2.4 checking zip directory: 990 55/ test 0: Phase 2.4 checking zip directory: 991 55/55-IR/ test 0: Phase 2.4 checking zip directory: 995 55/55-X-ray/ test 0: Phase 2.4 checking zip directory: 999 56/ test 0: Phase 2.4 checking zip directory: 1002 56/56-X-ray/ test 0: Phase 2.4 checking zip directory: 1004 56/56-IR/ test 0: Phase 2.4 checking zip directory: 1006 56/56-comp/ test 0: Phase 2.4 checking zip directory: 1007 56/56-comp/10292/ test 0: Phase 2.4 checking zip directory: 1008 56/56-comp/10323/ test 0: Phase 2.4 checking zip directory: 1009 56/56-comp/10311/ test 0: Phase 2.4 checking zip directory: 1024 57/ test 0: Phase 2.4 checking zip directory: 1029 57/57-x-ray/ test 0: Phase 2.4 checking zip directory: 1030 57/57-IR/ test 0: Phase 2.4 checking zip directory: 1033 58/ test 0: Phase 2.4 checking zip directory: 1037 58/58-X-ray/ test 0: Phase 2.4 checking zip directory: 1038 58/58-IR/ test 0: Phase 2.4 checking zip directory: 1042 60/ test 0: Phase 2.4 checking zip directory: 1043 60/60-X-ray/ test 0: Phase 2.4 checking zip directory: 1044 60/60-IR/ test 0: Phase 2.4 checking zip directory: 1051 61/ test 0: Phase 2.4 checking zip directory: 1052 61/61-1H/ test 0: Phase 2.4 checking zip directory: 1055 61/61-IR/ test 0: Phase 2.4 checking zip directory: 1056 61/61-cosy/ test 0: Phase 2.4 checking zip directory: 1057 61/61-X-Ray/ test 0: Phase 2.4 checking zip directory: 1058 61/61-hmqc/ test 0: Phase 2.4 checking zip directory: 1060 61/61-hmbc/ test 0: Phase 2.4 checking zip directory: 1061 61/61-13C/ test 0: Phase 2.4 checking zip directory: 7 61/61-13C/61-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 8 61/61-13C/61-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 61/61-hmbc/61-hmbc.zip|25/pdata/ test 0: Phase 2.4 checking zip directory: 9 61/61-hmbc/61-hmbc.zip|25/pdata/1/ test 0: Phase 2.4 checking zip directory: 9 61/61-hmqc/61-hmqc.zip|24/pdata/ test 0: Phase 2.4 checking zip directory: 10 61/61-hmqc/61-hmqc.zip|24/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 61/61-cosy/61-cosy.zip|22/pdata/ test 0: Phase 2.4 checking zip directory: 9 61/61-cosy/61-cosy.zip|22/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 61/61-1H/61-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 61/61-1H/61-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 1086 62/ test 0: Phase 2.4 checking zip directory: 1089 62/62-X-Ray/ test 0: Phase 2.4 checking zip directory: 1091 62/62-hmbc/ test 0: Phase 2.4 checking zip directory: 1092 62/62-13C/ test 0: Phase 2.4 checking zip directory: 1094 62/62-cosy/ test 0: Phase 2.4 checking zip directory: 1095 62/62-hmqc/ test 0: Phase 2.4 checking zip directory: 1096 62/62-IR/ test 0: Phase 2.4 checking zip directory: 1098 62/62-1H/ test 0: Phase 2.4 checking zip directory: 7 62/62-1H/62-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 62/62-1H/62-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 62/62-cosy/62-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 62/62-cosy/62-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 62/62-13C/62-13C.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 9 62/62-13C/62-13C.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 1121 65/ test 0: Phase 2.4 checking zip directory: 1123 65/65-IR/ test 0: Phase 2.4 checking zip directory: 1125 65/65-X-ray/ test 0: Phase 2.4 checking zip directory: 1130 66/ test 0: Phase 2.4 checking zip directory: 1131 66/66-X-ray/ test 0: Phase 2.4 checking zip directory: 1136 66/66-IR/ test 0: Phase 2.4 checking zip directory: 1139 70/ test 0: Phase 2.4 checking zip directory: 1141 70/70-IR/ test 0: Phase 2.4 checking zip directory: 1143 70/70-X-ray/ test 0: Phase 2.4 checking zip directory: 1148 73/ test 0: Phase 2.4 checking zip directory: 1151 73/73-x-ray/ test 0: Phase 2.4 checking zip directory: 1153 74/ test 0: Phase 2.4 checking zip directory: 1155 74/74-x-ray/ test 0: Phase 2.4 checking zip directory: 1158 75/ test 0: Phase 2.4 checking zip directory: 1159 75/75-x-ray/ test 0: Phase 2.4 checking zip directory: 1161 76/ test 0: Phase 2.4 checking zip directory: 1163 76/76-x-ray/ test 0: Phase 2.4 checking zip directory: 1 5/ test 0: Phase 2.4 checking zip directory: 2 5/5-13C in dmso-d6/ test 0: Phase 2.4 checking zip directory: 4 5/5-1H in dmso-d6/ test 0: Phase 2.4 checking zip directory: 6 5/5-X-ray/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 9 5/5-IR/ test 0: Phase 2.4 checking zip directory: 12 5/5-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 6 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 8 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 9 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 31 6/ test 0: Phase 2.4 checking zip directory: 33 6/6-cosy in CDCl3/ test 0: Phase 2.4 checking zip directory: 35 6/6-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 36 6/6-IR/ test 0: Phase 2.4 checking zip directory: 39 6/6-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 40 6/6-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 41 6/6-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 42 6/6-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 44 6/6-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 7 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 9 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/1/ test 0: Phase 2.4 checking zip directory: 74 8/ test 0: Phase 2.4 checking zip directory: 75 8/8-IR/ test 0: Phase 2.4 checking zip directory: 78 8/8-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 80 8/8-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 81 8/8-hmqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 82 8/8-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 84 8/8-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 86 8/8-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 87 8/8-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 8 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 7 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 113 9/ test 0: Phase 2.4 checking zip directory: 114 9/9-enol-HMBC/ test 0: Phase 2.4 checking zip directory: 115 9/9-enol-13C/ test 0: Phase 2.4 checking zip directory: 116 9/9-IR/ test 0: Phase 2.4 checking zip directory: 118 9/9-enol-HSQC/ test 0: Phase 2.4 checking zip directory: 119 9/9-keto-13C/ test 0: Phase 2.4 checking zip directory: 120 9/9-enol-1H/ test 0: Phase 2.4 checking zip directory: 124 9/9-enol-HMQC/ test 0: Phase 2.4 checking zip directory: 126 9/9-enol-cosy/ test 0: Phase 2.4 checking zip directory: 127 9/9-enolHMBC/ test 0: Phase 2.4 checking zip directory: 129 9/9-keto-1H/ test 0: Phase 2.4 checking zip directory: 7 9/9-keto-1H/9-keto form 1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 9/9-keto-1H/9-keto form 1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 9/9-enol-1H/9-enol form 1H.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-1H/9-enol form 1H.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-keto-13C/9-keto form 13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-keto-13C/9-keto form 13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-13C/9-enol form 13C.zip|13/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-13C/9-enol form 13C.zip|13/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/1/ test 0: Phase 2.4 checking zip directory: 159 10/ test 0: Phase 2.4 checking zip directory: 160 10/10-cosy in CDCl3/ test 0: Phase 2.4 checking zip directory: 162 10/10-IR/ test 0: Phase 2.4 checking zip directory: 163 10/10-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 164 10/10-1H in CDCl3/ test 0: Phase 2.4 checking zip 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directory: 7 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 9 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 203 11/ test 0: Phase 2.4 checking zip directory: 204 11/11-IR/ test 0: Phase 2.4 checking zip directory: 205 11/11-1H/ test 0: Phase 2.4 checking zip directory: 206 11/11-cosy/ test 0: Phase 2.4 checking zip directory: 209 11/11-hsqc/ test 0: Phase 2.4 checking zip directory: 210 11/11-X-ray/ test 0: Phase 2.4 checking zip directory: 213 11/11-hmbc/ test 0: Phase 2.4 checking zip directory: 215 11/11-13C/ test 0: Phase 2.4 checking zip directory: 8 11/11-13C/11-13C.zip|63/pdata/ test 0: Phase 2.4 checking zip directory: 9 11/11-13C/11-13C.zip|63/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 11/11-hmbc/11-hmbc.zip|64/pdata/ test 0: Phase 2.4 checking zip directory: 8 11/11-hmbc/11-hmbc.zip|64/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 11/11-1H/11-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 8 11/11-1H/11-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 238 12/ test 0: Phase 2.4 checking zip directory: 239 12/12-hmbc/ test 0: Phase 2.4 checking zip directory: 240 12/12-hsqc/ test 0: Phase 2.4 checking zip directory: 244 12/12-1H/ test 0: Phase 2.4 checking zip directory: 245 12/12-X-ray/ test 0: Phase 2.4 checking zip directory: 246 12/12-cosy/ test 0: Phase 2.4 checking zip directory: 247 12/12-13C/ test 0: Phase 2.4 checking zip directory: 248 12/12-IR/ test 0: Phase 2.4 checking zip directory: 7 12/12-13C/12-13C.zip|73/pdata/ test 0: Phase 2.4 checking zip directory: 8 12/12-13C/12-13C.zip|73/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 12/12-1H/12-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 7 12/12-1H/12-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 273 14/ test 0: Phase 2.4 checking zip directory: 274 14/14-1H/ test 0: Phase 2.4 checking zip directory: 275 14/14-IR/ test 0: Phase 2.4 checking zip directory: 276 14/14-hsqc/ test 0: Phase 2.4 checking zip directory: 278 14/14-hmbc/ test 0: Phase 2.4 checking zip directory: 279 14/14-cosy/ test 0: Phase 2.4 checking zip directory: 282 14/14-13C/ test 0: Phase 2.4 checking zip directory: 285 14/14-X-ray/ test 0: Phase 2.4 checking zip directory: 7 14/14-13C/14-13C.zip|93/pdata/ test 0: Phase 2.4 checking zip directory: 8 14/14-13C/14-13C.zip|93/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 14/14-1H/14-1H.zip|90/pdata/ test 0: Phase 2.4 checking zip directory: 7 14/14-1H/14-1H.zip|90/pdata/1/ test 0: Phase 2.4 checking zip directory: 308 15/ test 0: Phase 2.4 checking zip directory: 309 15/15-IR/ test 0: Phase 2.4 checking zip directory: 310 15/15-1H/ test 0: Phase 2.4 checking zip directory: 313 15/15-X-ray/ test 0: Phase 2.4 checking zip directory: 314 15/15-solvate-X-ray/ test 0: Phase 2.4 checking zip directory: 316 15/15-13C/ test 0: Phase 2.4 checking zip directory: 8 15/15-13C/15b-13C.zip|32/pdata/ test 0: Phase 2.4 checking zip directory: 9 15/15-13C/15b-13C.zip|32/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/ test 0: Phase 2.4 checking zip directory: 8 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/ test 0: Phase 2.4 checking zip directory: 8 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/1/ test 0: Phase 2.4 checking zip directory: 334 16/ test 0: Phase 2.4 checking zip directory: 337 16/16-hmbc/ test 0: Phase 2.4 checking zip directory: 340 16/16-1H/ test 0: Phase 2.4 checking zip directory: 341 16/16-13C/ test 0: Phase 2.4 checking zip directory: 342 16/16-X-ray/ test 0: Phase 2.4 checking zip directory: 344 16/16-IR/ test 0: Phase 2.4 checking zip directory: 345 16/16-hsqc/ test 0: Phase 2.4 checking zip directory: 8 16/16-13C/16-13C.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 9 16/16-13C/16-13C.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 16/16-1H/16-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 16/16-1H/16-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 364 17/ test 0: Phase 2.4 checking zip directory: 367 17/17-cosy/ test 0: Phase 2.4 checking zip directory: 369 17/17-hmbc/ test 0: Phase 2.4 checking zip directory: 370 17/17-X-ray/ test 0: Phase 2.4 checking zip directory: 371 17/17-hsqc/ test 0: Phase 2.4 checking zip directory: 372 17/17-IR/ test 0: Phase 2.4 checking zip directory: 374 17/17-13C/ test 0: Phase 2.4 checking zip directory: 375 17/17-1H/ test 0: Phase 2.4 checking zip directory: 7 17/17-1H/17-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 8 17/17-1H/17-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 9 17/17-13C/17-13C.zip|1/pdata/ test 0: Phase 2.4 checking zip directory: 10 17/17-13C/17-13C.zip|1/pdata/1/ test 0: Phase 2.4 checking zip directory: 399 18/ test 0: Phase 2.4 checking zip directory: 400 18/18-X-ray/ test 0: Phase 2.4 checking zip directory: 401 18/18-hsqc/ test 0: Phase 2.4 checking zip directory: 403 18/18-13C/ test 0: Phase 2.4 checking zip directory: 405 18/18-hmbc/ test 0: Phase 2.4 checking zip directory: 407 18/18-1H/ test 0: Phase 2.4 checking zip directory: 408 18/18-IR/ test 0: Phase 2.4 checking zip directory: 6 18/18-1H/18-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 7 18/18-1H/18-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 18/18-13C/18-13C.zip|71/pdata/ test 0: Phase 2.4 checking zip directory: 9 18/18-13C/18-13C.zip|71/pdata/1/ test 0: Phase 2.4 checking zip directory: 429 19/ test 0: Phase 2.4 checking zip directory: 431 19/19-hsqc/ test 0: Phase 2.4 checking zip directory: 434 19/19-13C/ test 0: Phase 2.4 checking zip directory: 436 19/19-X-ray/ test 0: Phase 2.4 checking zip directory: 437 19/19-hmbc/ test 0: Phase 2.4 checking zip directory: 438 19/19-IR/ test 0: Phase 2.4 checking zip directory: 439 19/19-1H/ test 0: Phase 2.4 checking zip directory: 6 19/19-1H/19-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 19/19-1H/19-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 19/19-13C/19-13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 19/19-13C/19-13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 459 20/ test 0: Phase 2.4 checking zip directory: 460 20/20-1H/ test 0: Phase 2.4 checking zip directory: 461 20/20-13C/ test 0: Phase 2.4 checking zip directory: 463 20/20-IR/ test 0: Phase 2.4 checking zip directory: 465 20/20-X-ray/ test 0: Phase 2.4 checking zip directory: 467 20/20-hmbc/ test 0: Phase 2.4 checking zip directory: 468 20/20-hsqc/ test 0: Phase 2.4 checking zip directory: 7 20/20-13C/20-13C.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 8 20/20-13C/20-13C.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 20/20-1H/20-1H.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 20/20-1H/20-1H.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 489 21/ test 0: Phase 2.4 checking zip directory: 490 21/21-13C/ test 0: Phase 2.4 checking zip directory: 492 21/21-IR/ test 0: Phase 2.4 checking zip directory: 493 21/21-X-ray/ test 0: Phase 2.4 checking zip directory: 494 21/21-1H/ test 0: Phase 2.4 checking zip directory: 495 21/21-cosy/ test 0: Phase 2.4 checking zip directory: 500 21/21-hmbc/ test 0: Phase 2.4 checking zip directory: 501 21/21-hsqc/ test 0: Phase 2.4 checking zip directory: 6 21/21-1H/21-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 7 21/21-1H/21-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 21/21-13C/21-13C.zip|1/pdata/ test 0: Phase 2.4 checking zip directory: 8 21/21-13C/21-13C.zip|1/pdata/1/ test 0: Phase 2.4 checking zip directory: 525 24/ test 0: Phase 2.4 checking zip directory: 527 24/24-hmbc/ test 0: Phase 2.4 checking zip directory: 528 24/24-1H/ test 0: Phase 2.4 checking zip directory: 530 24/24-13C/ test 0: Phase 2.4 checking zip directory: 531 24/24-IR/ test 0: Phase 2.4 checking zip directory: 532 24/24-X-ray/ test 0: Phase 2.4 checking zip directory: 533 24/24-hsqc/ test 0: Phase 2.4 checking zip directory: 537 24/24-cosy/ test 0: Phase 2.4 checking zip directory: 7 24/24-13C/24-13C.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 24/24-13C/24-13C.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 24/24-1H/24-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 24/24-1H/24-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 24/24-hmbc/24-hmbc.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 9 24/24-hmbc/24-hmbc.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 560 25/ test 0: Phase 2.4 checking zip directory: 562 25/25-X-ray/ test 0: Phase 2.4 checking zip directory: 563 25/25-IR/ test 0: Phase 2.4 checking zip directory: 565 25/25-1H/ test 0: Phase 2.4 checking zip directory: 566 25/25-hmbc/ test 0: Phase 2.4 checking zip directory: 567 25/25-13C/ test 0: Phase 2.4 checking zip directory: 568 25/25-hsqc/ test 0: Phase 2.4 checking zip directory: 572 25/25-cosy/ test 0: Phase 2.4 checking zip directory: 8 25/25-13C/25-13C.zip|73/pdata/ test 0: Phase 2.4 checking zip directory: 9 25/25-13C/25-13C.zip|73/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 25/25-1H/25-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 8 25/25-1H/25-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 595 28/ test 0: Phase 2.4 checking zip directory: 596 28/28-hmbc/ test 0: Phase 2.4 checking zip directory: 598 28/28-hsqc/ test 0: Phase 2.4 checking zip directory: 599 28/28-1H/ test 0: Phase 2.4 checking zip directory: 601 28/28-X-ray/ test 0: Phase 2.4 checking zip directory: 603 28/28-IR/ test 0: Phase 2.4 checking zip directory: 604 28/28-13C/ test 0: Phase 2.4 checking zip directory: 8 28/28-13C/28-13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 28/28-13C/28-13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 28/28-1H/28-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 28/28-1H/28-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 625 33/ test 0: Phase 2.4 checking zip directory: 628 33/33-acetone-d6/ test 0: Phase 2.4 checking zip directory: 629 33/33-CDCl3/ test 0: Phase 2.4 checking zip directory: 631 33/33-x-ray/ test 0: Phase 2.4 checking zip directory: 632 33/33-IR/ test 0: Phase 2.4 checking zip directory: 636 33/33-CDCl3/33-in CDCl3 hmbc/ test 0: Phase 2.4 checking zip directory: 637 33/33-CDCl3/33-in CDCl3 13C/ test 0: Phase 2.4 checking zip directory: 639 33/33-CDCl3/33-in CDCl3 1H/ test 0: Phase 2.4 checking zip directory: 640 33/33-CDCl3/33-in CDCl3 hmqc/ test 0: Phase 2.4 checking zip directory: 641 33/33-CDCl3/33-in CDCl3 cosy/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 662 33/33-acetone-d6/33-in acetone-d6 13C/ test 0: Phase 2.4 checking zip directory: 663 33/33-acetone-d6/33-in acetone-d6 hmbc/ test 0: Phase 2.4 checking zip directory: 664 33/33-acetone-d6/33-in acetone-d6 1H/ test 0: Phase 2.4 checking zip directory: 666 33/33-acetone-d6/33-in acetone-d6 hmqc/ test 0: Phase 2.4 checking zip directory: 6 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/ test 0: Phase 2.4 checking zip directory: 7 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/ test 0: Phase 2.4 checking zip directory: 8 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/1/ test 0: Phase 2.4 checking zip directory: 683 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2.4 checking zip directory: 7 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/1/ test 0: Phase 2.4 checking zip directory: 741 37/ test 0: Phase 2.4 checking zip directory: 745 37/37-13C/ test 0: Phase 2.4 checking zip directory: 746 37/37-cosy/ test 0: Phase 2.4 checking zip directory: 747 37/37-X-ray/ test 0: Phase 2.4 checking zip directory: 749 37/37-hmbc/ test 0: Phase 2.4 checking zip directory: 750 37/37-IR/ test 0: Phase 2.4 checking zip directory: 752 37/37-hsqc/ test 0: Phase 2.4 checking zip directory: 753 37/37-1H/ test 0: Phase 2.4 checking zip directory: 6 37/37-1H/37-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 37/37-1H/37-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 37/37-cosy/37-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 37/37-cosy/37-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 37/37-13C/37-3C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 9 37/37-13C/37-3C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 776 38/ test 0: Phase 2.4 checking zip directory: 777 38/38-X-ray/ test 0: Phase 2.4 checking zip directory: 779 38/38-hmbc/ test 0: Phase 2.4 checking zip directory: 782 38/38-hmqc/ test 0: Phase 2.4 checking zip directory: 783 38/38-cosy/ test 0: Phase 2.4 checking zip directory: 784 38/38-1H/ test 0: Phase 2.4 checking zip directory: 786 38/38-IR/ test 0: Phase 2.4 checking zip directory: 788 38/38-13C/ test 0: Phase 2.4 checking zip directory: 7 38/38-13C/38-13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-13C/38-13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 38/38-1H/38-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 38/38-1H/38-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 38/38-cosy/38-cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-cosy/38-cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 38/38-hmbc/38-hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-hmbc/38-hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 811 39/ test 0: Phase 2.4 checking zip directory: 815 39/39-X-ray/ test 0: Phase 2.4 checking zip directory: 817 39/39-hmbc/ test 0: Phase 2.4 checking zip directory: 818 39/39b-X-ray/ test 0: Phase 2.4 checking zip directory: 819 39/39-IR/ test 0: Phase 2.4 checking zip directory: 820 39/39-1H/ test 0: Phase 2.4 checking zip directory: 821 39/39-cosy/ test 0: Phase 2.4 checking zip directory: 822 39/39-hmqc/ test 0: Phase 2.4 checking zip directory: 824 39/39-13C/ test 0: Phase 2.4 checking zip directory: 8 39/39-13C/39-13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 9 39/39-13C/39-13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-cosy/39-cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-cosy/39-cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-1H/39-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-1H/39-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-hmbc/39-hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-hmbc/39-hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 848 40/ test 0: Phase 2.4 checking zip directory: 849 40/40-IR/ test 0: Phase 2.4 checking zip directory: 850 40/40-1H/ test 0: Phase 2.4 checking zip directory: 851 40/40-X-ray/ test 0: Phase 2.4 checking zip directory: 854 40/40-13C/ test 0: Phase 2.4 checking zip directory: 856 40/40-cosy/ test 0: Phase 2.4 checking zip directory: 857 40/40-hmqc/ test 0: Phase 2.4 checking zip directory: 859 40/40-hmbc/ test 0: Phase 2.4 checking zip directory: 7 40/40-hmbc/40-hmbc.zip|24/pdata/ test 0: Phase 2.4 checking zip directory: 8 40/40-hmbc/40-hmbc.zip|24/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 40/40-cosy/40-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 40/40-cosy/40-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 40/40-13C/40-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 9 40/40-13C/40-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 40/40-1H/40-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 40/40-1H/40-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 883 42/ test 0: Phase 2.4 checking zip directory: 884 42/42-X-ray/ test 0: Phase 2.4 checking zip directory: 889 42/42-IR/ test 0: Phase 2.4 checking zip directory: 892 46/ test 0: Phase 2.4 checking zip directory: 894 46/46-X-ray/ test 0: Phase 2.4 checking zip directory: 897 46/46-IR/ test 0: Phase 2.4 checking zip directory: 901 49/ test 0: Phase 2.4 checking zip directory: 902 49/49-hmbc/ test 0: Phase 2.4 checking zip directory: 905 49/49-hsqc/ test 0: Phase 2.4 checking zip directory: 907 49/49-1H/ test 0: Phase 2.4 checking zip directory: 908 49/49-13C/ test 0: Phase 2.4 checking zip directory: 909 49/49-IR/ test 0: Phase 2.4 checking zip directory: 911 49/49-X-ray/ test 0: Phase 2.4 checking zip directory: 912 49/49-cosy/ test 0: Phase 2.4 checking zip directory: 7 49/49-13C/49-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 8 49/49-13C/49-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 49/49-1H/49-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 49/49-1H/49-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 937 50/ test 0: Phase 2.4 checking zip directory: 938 50/50-IR/ test 0: Phase 2.4 checking zip directory: 939 50/50-1H/ test 0: Phase 2.4 checking zip directory: 940 50/50-cosy/ test 0: Phase 2.4 checking zip directory: 941 50/50-13C/ test 0: Phase 2.4 checking zip directory: 944 50/50-hsqc/ test 0: Phase 2.4 checking zip directory: 945 50/50-X-ray/ test 0: Phase 2.4 checking zip directory: 946 50/50-hmbc/ test 0: Phase 2.4 checking zip directory: 7 50/50-13C/50-13C.zip|63/pdata/ test 0: Phase 2.4 checking zip directory: 8 50/50-13C/50-13C.zip|63/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 50/50-1H/50-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 7 50/50-1H/50-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 972 53/ test 0: Phase 2.4 checking zip directory: 976 53/53-IR/ test 0: Phase 2.4 checking zip directory: 977 53/53-X-ray/ test 0: Phase 2.4 checking zip directory: 981 54/ test 0: Phase 2.4 checking zip directory: 983 54/54-IR/ test 0: Phase 2.4 checking zip directory: 985 54/54-X-ray/ test 0: Phase 2.4 checking zip directory: 990 55/ test 0: Phase 2.4 checking zip directory: 991 55/55-IR/ test 0: Phase 2.4 checking zip directory: 995 55/55-X-ray/ test 0: Phase 2.4 checking zip directory: 999 56/ test 0: Phase 2.4 checking zip directory: 1002 56/56-X-ray/ test 0: Phase 2.4 checking zip directory: 1004 56/56-IR/ test 0: Phase 2.4 checking zip directory: 1006 56/56-comp/ test 0: Phase 2.4 checking zip directory: 1007 56/56-comp/10292/ test 0: Phase 2.4 checking zip directory: 1008 56/56-comp/10323/ test 0: Phase 2.4 checking zip directory: 1009 56/56-comp/10311/ test 0: Phase 2.4 checking zip directory: 1024 57/ test 0: Phase 2.4 checking zip directory: 1029 57/57-x-ray/ test 0: Phase 2.4 checking zip directory: 1030 57/57-IR/ test 0: Phase 2.4 checking zip directory: 1033 58/ test 0: Phase 2.4 checking zip directory: 1037 58/58-X-ray/ test 0: Phase 2.4 checking zip directory: 1038 58/58-IR/ test 0: Phase 2.4 checking zip directory: 1042 60/ test 0: Phase 2.4 checking zip directory: 1043 60/60-X-ray/ test 0: Phase 2.4 checking zip directory: 1044 60/60-IR/ test 0: Phase 2.4 checking zip directory: 1051 61/ test 0: Phase 2.4 checking zip directory: 1052 61/61-1H/ test 0: Phase 2.4 checking zip directory: 1055 61/61-IR/ test 0: Phase 2.4 checking zip directory: 1056 61/61-cosy/ test 0: Phase 2.4 checking zip directory: 1057 61/61-X-Ray/ test 0: Phase 2.4 checking zip directory: 1058 61/61-hmqc/ test 0: Phase 2.4 checking zip directory: 1060 61/61-hmbc/ test 0: Phase 2.4 checking zip directory: 1061 61/61-13C/ test 0: Phase 2.4 checking zip directory: 7 61/61-13C/61-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 8 61/61-13C/61-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 61/61-hmbc/61-hmbc.zip|25/pdata/ test 0: Phase 2.4 checking zip directory: 9 61/61-hmbc/61-hmbc.zip|25/pdata/1/ test 0: Phase 2.4 checking zip directory: 9 61/61-hmqc/61-hmqc.zip|24/pdata/ test 0: Phase 2.4 checking zip directory: 10 61/61-hmqc/61-hmqc.zip|24/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 61/61-cosy/61-cosy.zip|22/pdata/ test 0: Phase 2.4 checking zip directory: 9 61/61-cosy/61-cosy.zip|22/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 61/61-1H/61-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 61/61-1H/61-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 1086 62/ test 0: Phase 2.4 checking zip directory: 1089 62/62-X-Ray/ test 0: Phase 2.4 checking zip directory: 1091 62/62-hmbc/ test 0: Phase 2.4 checking zip directory: 1092 62/62-13C/ test 0: Phase 2.4 checking zip directory: 1094 62/62-cosy/ test 0: Phase 2.4 checking zip directory: 1095 62/62-hmqc/ test 0: Phase 2.4 checking zip directory: 1096 62/62-IR/ test 0: Phase 2.4 checking zip directory: 1098 62/62-1H/ test 0: Phase 2.4 checking zip directory: 7 62/62-1H/62-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 62/62-1H/62-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 62/62-cosy/62-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 62/62-cosy/62-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 62/62-13C/62-13C.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 9 62/62-13C/62-13C.zip|10/pdata/1/ test 0: Phase 2.4 checking 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directory: 2 5/5-13C in dmso-d6/ test 0: Phase 2.4 checking zip directory: 4 5/5-1H in dmso-d6/ test 0: Phase 2.4 checking zip directory: 6 5/5-X-ray/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 9 5/5-IR/ test 0: Phase 2.4 checking zip directory: 12 5/5-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 6 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 5/5-1H in CD3OD/5-1H in CD3OD.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in CD3OD/5-13C in CD3OD.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 8 5/5-1H in dmso-d6/5-1H in dmso-d6.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 9 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 31 6/ test 0: Phase 2.4 checking zip directory: 33 6/6-cosy in CDCl3/ test 0: Phase 2.4 checking zip directory: 35 6/6-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 36 6/6-IR/ test 0: Phase 2.4 checking zip directory: 39 6/6-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 40 6/6-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 41 6/6-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 42 6/6-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 44 6/6-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 7 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 9 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/1/ test 0: Phase 2.4 checking zip directory: 74 8/ test 0: Phase 2.4 checking zip directory: 75 8/8-IR/ test 0: Phase 2.4 checking zip directory: 78 8/8-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 80 8/8-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 81 8/8-hmqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 82 8/8-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 84 8/8-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 86 8/8-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 87 8/8-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 8 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 7 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 113 9/ test 0: Phase 2.4 checking zip directory: 114 9/9-enol-HMBC/ test 0: Phase 2.4 checking zip directory: 115 9/9-enol-13C/ test 0: Phase 2.4 checking zip directory: 116 9/9-IR/ test 0: Phase 2.4 checking zip directory: 118 9/9-enol-HSQC/ test 0: Phase 2.4 checking zip directory: 119 9/9-keto-13C/ test 0: Phase 2.4 checking zip directory: 120 9/9-enol-1H/ test 0: Phase 2.4 checking zip directory: 124 9/9-enol-HMQC/ test 0: Phase 2.4 checking zip directory: 126 9/9-enol-cosy/ test 0: Phase 2.4 checking zip directory: 127 9/9-enolHMBC/ test 0: Phase 2.4 checking zip directory: 129 9/9-keto-1H/ test 0: Phase 2.4 checking zip directory: 7 9/9-keto-1H/9-keto form 1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 9/9-keto-1H/9-keto form 1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 9/9-enol-1H/9-enol form 1H.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-1H/9-enol form 1H.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-keto-13C/9-keto form 13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-keto-13C/9-keto form 13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-13C/9-enol form 13C.zip|13/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-13C/9-enol form 13C.zip|13/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/1/ test 0: Phase 2.4 checking zip directory: 159 10/ test 0: Phase 2.4 checking zip directory: 160 10/10-cosy in CDCl3/ test 0: Phase 2.4 checking zip directory: 162 10/10-IR/ test 0: Phase 2.4 checking zip directory: 163 10/10-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 164 10/10-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 167 10/10-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 169 10/10-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 170 10/10-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 172 10/10-hmqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 173 10/10-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 7 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 9 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 203 11/ test 0: Phase 2.4 checking zip directory: 204 11/11-IR/ test 0: Phase 2.4 checking zip directory: 205 11/11-1H/ test 0: Phase 2.4 checking zip directory: 206 11/11-cosy/ test 0: Phase 2.4 checking zip directory: 209 11/11-hsqc/ test 0: Phase 2.4 checking zip directory: 210 11/11-X-ray/ test 0: Phase 2.4 checking zip directory: 213 11/11-hmbc/ test 0: Phase 2.4 checking zip directory: 215 11/11-13C/ test 0: Phase 2.4 checking zip directory: 8 11/11-13C/11-13C.zip|63/pdata/ test 0: Phase 2.4 checking zip directory: 9 11/11-13C/11-13C.zip|63/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 11/11-hmbc/11-hmbc.zip|64/pdata/ test 0: Phase 2.4 checking zip directory: 8 11/11-hmbc/11-hmbc.zip|64/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 11/11-1H/11-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 8 11/11-1H/11-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 238 12/ test 0: Phase 2.4 checking zip directory: 239 12/12-hmbc/ test 0: Phase 2.4 checking zip directory: 240 12/12-hsqc/ test 0: Phase 2.4 checking zip directory: 244 12/12-1H/ test 0: Phase 2.4 checking zip directory: 245 12/12-X-ray/ test 0: Phase 2.4 checking zip directory: 246 12/12-cosy/ test 0: Phase 2.4 checking zip directory: 247 12/12-13C/ test 0: Phase 2.4 checking zip directory: 248 12/12-IR/ test 0: Phase 2.4 checking zip directory: 7 12/12-13C/12-13C.zip|73/pdata/ test 0: Phase 2.4 checking zip directory: 8 12/12-13C/12-13C.zip|73/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 12/12-1H/12-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 7 12/12-1H/12-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 273 14/ test 0: Phase 2.4 checking zip directory: 274 14/14-1H/ test 0: Phase 2.4 checking zip directory: 275 14/14-IR/ test 0: Phase 2.4 checking zip directory: 276 14/14-hsqc/ test 0: Phase 2.4 checking zip directory: 278 14/14-hmbc/ test 0: Phase 2.4 checking zip directory: 279 14/14-cosy/ test 0: Phase 2.4 checking zip directory: 282 14/14-13C/ test 0: Phase 2.4 checking zip directory: 285 14/14-X-ray/ test 0: Phase 2.4 checking zip directory: 7 14/14-13C/14-13C.zip|93/pdata/ test 0: Phase 2.4 checking zip directory: 8 14/14-13C/14-13C.zip|93/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 14/14-1H/14-1H.zip|90/pdata/ test 0: Phase 2.4 checking zip directory: 7 14/14-1H/14-1H.zip|90/pdata/1/ test 0: Phase 2.4 checking zip directory: 308 15/ test 0: Phase 2.4 checking zip directory: 309 15/15-IR/ test 0: Phase 2.4 checking zip directory: 310 15/15-1H/ test 0: Phase 2.4 checking zip directory: 313 15/15-X-ray/ test 0: Phase 2.4 checking zip directory: 314 15/15-solvate-X-ray/ test 0: Phase 2.4 checking zip directory: 316 15/15-13C/ test 0: Phase 2.4 checking zip directory: 8 15/15-13C/15b-13C.zip|32/pdata/ test 0: Phase 2.4 checking zip directory: 9 15/15-13C/15b-13C.zip|32/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/ test 0: Phase 2.4 checking zip directory: 8 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/ test 0: Phase 2.4 checking zip directory: 8 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/1/ test 0: Phase 2.4 checking zip directory: 334 16/ test 0: Phase 2.4 checking zip directory: 337 16/16-hmbc/ test 0: Phase 2.4 checking zip directory: 340 16/16-1H/ test 0: Phase 2.4 checking zip directory: 341 16/16-13C/ test 0: Phase 2.4 checking zip directory: 342 16/16-X-ray/ test 0: Phase 2.4 checking zip directory: 344 16/16-IR/ test 0: Phase 2.4 checking zip directory: 345 16/16-hsqc/ test 0: Phase 2.4 checking zip directory: 8 16/16-13C/16-13C.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 9 16/16-13C/16-13C.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 16/16-1H/16-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 16/16-1H/16-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 364 17/ test 0: Phase 2.4 checking zip directory: 367 17/17-cosy/ test 0: Phase 2.4 checking zip directory: 369 17/17-hmbc/ test 0: Phase 2.4 checking zip directory: 370 17/17-X-ray/ test 0: Phase 2.4 checking zip directory: 371 17/17-hsqc/ test 0: Phase 2.4 checking zip directory: 372 17/17-IR/ test 0: Phase 2.4 checking zip directory: 374 17/17-13C/ test 0: Phase 2.4 checking zip directory: 375 17/17-1H/ test 0: Phase 2.4 checking zip directory: 7 17/17-1H/17-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 8 17/17-1H/17-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 9 17/17-13C/17-13C.zip|1/pdata/ test 0: Phase 2.4 checking zip directory: 10 17/17-13C/17-13C.zip|1/pdata/1/ test 0: Phase 2.4 checking zip directory: 399 18/ test 0: Phase 2.4 checking zip directory: 400 18/18-X-ray/ test 0: Phase 2.4 checking zip directory: 401 18/18-hsqc/ test 0: Phase 2.4 checking zip directory: 403 18/18-13C/ test 0: Phase 2.4 checking zip directory: 405 18/18-hmbc/ test 0: Phase 2.4 checking zip directory: 407 18/18-1H/ test 0: Phase 2.4 checking zip directory: 408 18/18-IR/ test 0: Phase 2.4 checking zip directory: 6 18/18-1H/18-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 7 18/18-1H/18-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 18/18-13C/18-13C.zip|71/pdata/ test 0: Phase 2.4 checking zip directory: 9 18/18-13C/18-13C.zip|71/pdata/1/ test 0: Phase 2.4 checking zip directory: 429 19/ test 0: Phase 2.4 checking zip directory: 431 19/19-hsqc/ test 0: Phase 2.4 checking zip directory: 434 19/19-13C/ test 0: Phase 2.4 checking zip directory: 436 19/19-X-ray/ test 0: Phase 2.4 checking zip directory: 437 19/19-hmbc/ test 0: Phase 2.4 checking zip directory: 438 19/19-IR/ test 0: Phase 2.4 checking zip directory: 439 19/19-1H/ test 0: Phase 2.4 checking zip directory: 6 19/19-1H/19-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 19/19-1H/19-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 19/19-13C/19-13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 19/19-13C/19-13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 459 20/ test 0: Phase 2.4 checking zip directory: 460 20/20-1H/ test 0: Phase 2.4 checking zip directory: 461 20/20-13C/ test 0: Phase 2.4 checking zip directory: 463 20/20-IR/ test 0: Phase 2.4 checking zip directory: 465 20/20-X-ray/ test 0: Phase 2.4 checking zip directory: 467 20/20-hmbc/ test 0: Phase 2.4 checking zip directory: 468 20/20-hsqc/ test 0: Phase 2.4 checking zip directory: 7 20/20-13C/20-13C.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 8 20/20-13C/20-13C.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 20/20-1H/20-1H.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 20/20-1H/20-1H.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 489 21/ test 0: Phase 2.4 checking zip directory: 490 21/21-13C/ test 0: Phase 2.4 checking zip directory: 492 21/21-IR/ test 0: Phase 2.4 checking zip directory: 493 21/21-X-ray/ test 0: Phase 2.4 checking zip directory: 494 21/21-1H/ test 0: Phase 2.4 checking zip directory: 495 21/21-cosy/ test 0: Phase 2.4 checking zip directory: 500 21/21-hmbc/ test 0: Phase 2.4 checking zip directory: 501 21/21-hsqc/ test 0: Phase 2.4 checking zip directory: 6 21/21-1H/21-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 7 21/21-1H/21-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 21/21-13C/21-13C.zip|1/pdata/ test 0: Phase 2.4 checking zip directory: 8 21/21-13C/21-13C.zip|1/pdata/1/ test 0: Phase 2.4 checking zip directory: 525 24/ test 0: Phase 2.4 checking zip directory: 527 24/24-hmbc/ test 0: Phase 2.4 checking zip directory: 528 24/24-1H/ test 0: Phase 2.4 checking zip directory: 530 24/24-13C/ test 0: Phase 2.4 checking zip directory: 531 24/24-IR/ test 0: Phase 2.4 checking zip directory: 532 24/24-X-ray/ test 0: Phase 2.4 checking zip directory: 533 24/24-hsqc/ test 0: Phase 2.4 checking zip directory: 537 24/24-cosy/ test 0: Phase 2.4 checking zip directory: 7 24/24-13C/24-13C.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 24/24-13C/24-13C.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 24/24-1H/24-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 24/24-1H/24-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 24/24-hmbc/24-hmbc.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 9 24/24-hmbc/24-hmbc.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 560 25/ test 0: Phase 2.4 checking zip directory: 562 25/25-X-ray/ test 0: Phase 2.4 checking zip directory: 563 25/25-IR/ test 0: Phase 2.4 checking zip directory: 565 25/25-1H/ test 0: Phase 2.4 checking zip directory: 566 25/25-hmbc/ test 0: Phase 2.4 checking zip directory: 567 25/25-13C/ test 0: Phase 2.4 checking zip directory: 568 25/25-hsqc/ test 0: Phase 2.4 checking zip directory: 572 25/25-cosy/ test 0: Phase 2.4 checking zip directory: 8 25/25-13C/25-13C.zip|73/pdata/ test 0: Phase 2.4 checking zip directory: 9 25/25-13C/25-13C.zip|73/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 25/25-1H/25-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 8 25/25-1H/25-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 595 28/ test 0: Phase 2.4 checking zip directory: 596 28/28-hmbc/ test 0: Phase 2.4 checking zip directory: 598 28/28-hsqc/ test 0: Phase 2.4 checking zip directory: 599 28/28-1H/ test 0: Phase 2.4 checking zip directory: 601 28/28-X-ray/ test 0: Phase 2.4 checking zip directory: 603 28/28-IR/ test 0: Phase 2.4 checking zip directory: 604 28/28-13C/ test 0: Phase 2.4 checking zip directory: 8 28/28-13C/28-13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 28/28-13C/28-13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 28/28-1H/28-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 28/28-1H/28-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 625 33/ test 0: Phase 2.4 checking zip directory: 628 33/33-acetone-d6/ test 0: Phase 2.4 checking zip directory: 629 33/33-CDCl3/ test 0: Phase 2.4 checking zip directory: 631 33/33-x-ray/ test 0: Phase 2.4 checking zip directory: 632 33/33-IR/ test 0: Phase 2.4 checking zip directory: 636 33/33-CDCl3/33-in CDCl3 hmbc/ test 0: Phase 2.4 checking zip directory: 637 33/33-CDCl3/33-in CDCl3 13C/ test 0: Phase 2.4 checking zip directory: 639 33/33-CDCl3/33-in CDCl3 1H/ test 0: Phase 2.4 checking zip directory: 640 33/33-CDCl3/33-in CDCl3 hmqc/ test 0: Phase 2.4 checking zip directory: 641 33/33-CDCl3/33-in CDCl3 cosy/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 662 33/33-acetone-d6/33-in acetone-d6 13C/ test 0: Phase 2.4 checking zip directory: 663 33/33-acetone-d6/33-in acetone-d6 hmbc/ test 0: Phase 2.4 checking zip directory: 664 33/33-acetone-d6/33-in acetone-d6 1H/ test 0: Phase 2.4 checking zip directory: 666 33/33-acetone-d6/33-in acetone-d6 hmqc/ test 0: Phase 2.4 checking zip directory: 6 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/ test 0: Phase 2.4 checking zip directory: 7 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/ test 0: Phase 2.4 checking zip directory: 8 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/1/ test 0: Phase 2.4 checking zip directory: 683 34/ test 0: Phase 2.4 checking zip directory: 685 34/34-IR/ test 0: Phase 2.4 checking zip directory: 689 34/34-X-Ray/ test 0: Phase 2.4 checking zip directory: 690 34/34-NMR-acetone-d6/ test 0: Phase 2.4 checking zip directory: 691 34/34-NMR-CDCl3/ test 0: Phase 2.4 checking zip directory: 692 34/34-NMR-CDCl3/34-in CDCl3 hmbc/ test 0: Phase 2.4 checking zip directory: 693 34/34-NMR-CDCl3/34-in CDCl3 13C/ test 0: Phase 2.4 checking zip directory: 695 34/34-NMR-CDCl3/34-in CDCl3 hsqc/ test 0: Phase 2.4 checking zip directory: 696 34/34-NMR-CDCl3/34-in CDCl3 1H/ test 0: Phase 2.4 checking zip directory: 697 34/34-NMR-CDCl3/34-in CDCl3 cosy/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/1/ test 0: Phase 2.4 checking zip directory: 719 34/34-NMR-acetone-d6/34-in acetone-d6 13C/ test 0: Phase 2.4 checking zip directory: 720 34/34-NMR-acetone-d6/34-in acetone-d6 1H/ test 0: Phase 2.4 checking zip directory: 721 34/34-NMR-acetone-d6/34-in acetone-d6 hmbc/ test 0: Phase 2.4 checking zip directory: 722 34/34-NMR-acetone-d6/34-in acetone-d6 hsqc/ test 0: Phase 2.4 checking zip directory: 6 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/ test 0: Phase 2.4 checking zip directory: 7 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/1/ test 0: Phase 2.4 checking zip directory: 741 37/ test 0: Phase 2.4 checking zip directory: 745 37/37-13C/ test 0: Phase 2.4 checking zip directory: 746 37/37-cosy/ test 0: Phase 2.4 checking zip directory: 747 37/37-X-ray/ test 0: Phase 2.4 checking zip directory: 749 37/37-hmbc/ test 0: Phase 2.4 checking zip directory: 750 37/37-IR/ test 0: Phase 2.4 checking zip directory: 752 37/37-hsqc/ test 0: Phase 2.4 checking zip directory: 753 37/37-1H/ test 0: Phase 2.4 checking zip directory: 6 37/37-1H/37-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 37/37-1H/37-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 37/37-cosy/37-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 37/37-cosy/37-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 37/37-13C/37-3C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 9 37/37-13C/37-3C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 776 38/ test 0: Phase 2.4 checking zip directory: 777 38/38-X-ray/ test 0: Phase 2.4 checking zip directory: 779 38/38-hmbc/ test 0: Phase 2.4 checking zip directory: 782 38/38-hmqc/ test 0: Phase 2.4 checking zip directory: 783 38/38-cosy/ test 0: Phase 2.4 checking zip directory: 784 38/38-1H/ test 0: Phase 2.4 checking zip directory: 786 38/38-IR/ test 0: Phase 2.4 checking zip directory: 788 38/38-13C/ test 0: Phase 2.4 checking zip directory: 7 38/38-13C/38-13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-13C/38-13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 38/38-1H/38-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 38/38-1H/38-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 38/38-cosy/38-cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-cosy/38-cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 38/38-hmbc/38-hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-hmbc/38-hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 811 39/ test 0: Phase 2.4 checking zip directory: 815 39/39-X-ray/ test 0: Phase 2.4 checking zip directory: 817 39/39-hmbc/ test 0: Phase 2.4 checking zip directory: 818 39/39b-X-ray/ test 0: Phase 2.4 checking zip directory: 819 39/39-IR/ test 0: Phase 2.4 checking zip directory: 820 39/39-1H/ test 0: Phase 2.4 checking zip directory: 821 39/39-cosy/ test 0: Phase 2.4 checking zip directory: 822 39/39-hmqc/ test 0: Phase 2.4 checking zip 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50/50-cosy/ test 0: Phase 2.4 checking zip directory: 941 50/50-13C/ test 0: Phase 2.4 checking zip directory: 944 50/50-hsqc/ test 0: Phase 2.4 checking zip directory: 945 50/50-X-ray/ test 0: Phase 2.4 checking zip directory: 946 50/50-hmbc/ test 0: Phase 2.4 checking zip directory: 7 50/50-13C/50-13C.zip|63/pdata/ test 0: Phase 2.4 checking zip directory: 8 50/50-13C/50-13C.zip|63/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 50/50-1H/50-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 7 50/50-1H/50-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 972 53/ test 0: Phase 2.4 checking zip directory: 976 53/53-IR/ test 0: Phase 2.4 checking zip directory: 977 53/53-X-ray/ test 0: Phase 2.4 checking zip directory: 981 54/ test 0: Phase 2.4 checking zip directory: 983 54/54-IR/ test 0: Phase 2.4 checking zip directory: 985 54/54-X-ray/ test 0: Phase 2.4 checking zip directory: 990 55/ test 0: Phase 2.4 checking zip directory: 991 55/55-IR/ test 0: Phase 2.4 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directory: 1051 61/ test 0: Phase 2.4 checking zip directory: 1052 61/61-1H/ test 0: Phase 2.4 checking zip directory: 1055 61/61-IR/ test 0: Phase 2.4 checking zip directory: 1056 61/61-cosy/ test 0: Phase 2.4 checking zip directory: 1057 61/61-X-Ray/ test 0: Phase 2.4 checking zip directory: 1058 61/61-hmqc/ test 0: Phase 2.4 checking zip directory: 1060 61/61-hmbc/ test 0: Phase 2.4 checking zip directory: 1061 61/61-13C/ test 0: Phase 2.4 checking zip directory: 7 61/61-13C/61-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 8 61/61-13C/61-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 61/61-hmbc/61-hmbc.zip|25/pdata/ test 0: Phase 2.4 checking zip directory: 9 61/61-hmbc/61-hmbc.zip|25/pdata/1/ test 0: Phase 2.4 checking zip directory: 9 61/61-hmqc/61-hmqc.zip|24/pdata/ test 0: Phase 2.4 checking zip directory: 10 61/61-hmqc/61-hmqc.zip|24/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 61/61-cosy/61-cosy.zip|22/pdata/ test 0: Phase 2.4 checking zip directory: 9 61/61-cosy/61-cosy.zip|22/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 61/61-1H/61-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 61/61-1H/61-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 1086 62/ test 0: Phase 2.4 checking zip directory: 1089 62/62-X-Ray/ test 0: Phase 2.4 checking zip directory: 1091 62/62-hmbc/ test 0: Phase 2.4 checking zip directory: 1092 62/62-13C/ test 0: Phase 2.4 checking zip directory: 1094 62/62-cosy/ test 0: Phase 2.4 checking zip directory: 1095 62/62-hmqc/ test 0: Phase 2.4 checking zip directory: 1096 62/62-IR/ test 0: Phase 2.4 checking zip directory: 1098 62/62-1H/ test 0: Phase 2.4 checking zip directory: 7 62/62-1H/62-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 62/62-1H/62-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 62/62-cosy/62-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 62/62-cosy/62-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 62/62-13C/62-13C.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 9 62/62-13C/62-13C.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 1121 65/ test 0: Phase 2.4 checking zip directory: 1123 65/65-IR/ test 0: Phase 2.4 checking zip directory: 1125 65/65-X-ray/ test 0: Phase 2.4 checking zip directory: 1130 66/ test 0: Phase 2.4 checking zip directory: 1131 66/66-X-ray/ test 0: Phase 2.4 checking zip directory: 1136 66/66-IR/ test 0: Phase 2.4 checking zip directory: 1139 70/ test 0: Phase 2.4 checking zip directory: 1141 70/70-IR/ test 0: Phase 2.4 checking zip directory: 1143 70/70-X-ray/ test 0: Phase 2.4 checking zip directory: 1148 73/ test 0: Phase 2.4 checking zip directory: 1151 73/73-x-ray/ test 0: Phase 2.4 checking zip directory: 1153 74/ test 0: Phase 2.4 checking zip directory: 1155 74/74-x-ray/ test 0: Phase 2.4 checking zip directory: 1158 75/ test 0: Phase 2.4 checking zip directory: 1159 75/75-x-ray/ test 0: Phase 2.4 checking zip directory: 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dmso-d6.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 9 5/5-13C in dmso-d6/5-13C in dmso-d6.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 31 6/ test 0: Phase 2.4 checking zip directory: 33 6/6-cosy in CDCl3/ test 0: Phase 2.4 checking zip directory: 35 6/6-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 36 6/6-IR/ test 0: Phase 2.4 checking zip directory: 39 6/6-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 40 6/6-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 41 6/6-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 42 6/6-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 44 6/6-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 7 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-hmbc in CDCl3/6-hmbc in CDCl3.zip|35/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 6/6-1H in CDCl3/6-1H in CDCl3.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 6/6-1H in CD3OD/6-1H in CD3OD.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 9 6/6-13C in CDCl3/6-13C in CDCl3.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-13C in CD3OD/6-13C in CD3OD.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/ test 0: Phase 2.4 checking zip directory: 8 6/6-cosy in CDCl3/6-cosy in CDCl3.zip|32/pdata/1/ test 0: Phase 2.4 checking zip directory: 74 8/ test 0: Phase 2.4 checking zip directory: 75 8/8-IR/ test 0: Phase 2.4 checking zip directory: 78 8/8-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 80 8/8-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 81 8/8-hmqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 82 8/8-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 84 8/8-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 86 8/8-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 87 8/8-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 8 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 8/8-13C in CD3OD/8-13C in CD3OD.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-13C in CDCl3/8-13C in CDCl3.zip|121/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-hmbc in CDCl3/8-hmbc in CDCl3.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 8/8-1H in CD3OD/8-1H in CD3OD.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 7 8/8-1H in CDCl3/8-1H in CDCl3.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 113 9/ test 0: Phase 2.4 checking zip directory: 114 9/9-enol-HMBC/ test 0: Phase 2.4 checking zip directory: 115 9/9-enol-13C/ test 0: Phase 2.4 checking zip directory: 116 9/9-IR/ test 0: Phase 2.4 checking zip directory: 118 9/9-enol-HSQC/ test 0: Phase 2.4 checking zip directory: 119 9/9-keto-13C/ test 0: Phase 2.4 checking zip directory: 120 9/9-enol-1H/ test 0: Phase 2.4 checking zip directory: 124 9/9-enol-HMQC/ test 0: Phase 2.4 checking zip directory: 126 9/9-enol-cosy/ test 0: Phase 2.4 checking zip directory: 127 9/9-enolHMBC/ test 0: Phase 2.4 checking zip directory: 129 9/9-keto-1H/ test 0: Phase 2.4 checking zip directory: 7 9/9-keto-1H/9-keto form 1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 9/9-keto-1H/9-keto form 1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-cosy/9-enol form cosy.zip|11/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 9/9-enol-1H/9-enol form 1H.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-1H/9-enol form 1H.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-keto-13C/9-keto form 13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-keto-13C/9-keto form 13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-13C/9-enol form 13C.zip|13/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-13C/9-enol form 13C.zip|13/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/ test 0: Phase 2.4 checking zip directory: 9 9/9-enol-HMBC/9-enol form hmbc.zip|14/pdata/1/ test 0: Phase 2.4 checking zip directory: 159 10/ test 0: Phase 2.4 checking zip directory: 160 10/10-cosy in CDCl3/ test 0: Phase 2.4 checking zip directory: 162 10/10-IR/ test 0: Phase 2.4 checking zip directory: 163 10/10-1H in CD3OD/ test 0: Phase 2.4 checking zip directory: 164 10/10-1H in CDCl3/ test 0: Phase 2.4 checking zip directory: 167 10/10-13C in CDCl3/ test 0: Phase 2.4 checking zip directory: 169 10/10-13C in CD3OD/ test 0: Phase 2.4 checking zip directory: 170 10/10-hmbc in CDCl3/ test 0: Phase 2.4 checking zip directory: 172 10/10-hmqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 173 10/10-hsqc in CDCl3/ test 0: Phase 2.4 checking zip directory: 7 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-hmbc in CDCl3/10-hmbc in CDCl3.zip|54/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-13C in CD3OD/10-13C in CD3OD.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/ test 0: Phase 2.4 checking zip directory: 8 10/10-13C in CDCl3/10-13C in CDCl3.zip|53/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 10/10-1H in CDCl3/10-1H in CDCl3.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 10/10-1H in CD3OD/10-1H in CD3OD.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 9 10/10-cosy in CDCl3/10-cosy in CDCl3.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 203 11/ test 0: Phase 2.4 checking zip directory: 204 11/11-IR/ test 0: Phase 2.4 checking zip directory: 205 11/11-1H/ test 0: Phase 2.4 checking zip directory: 206 11/11-cosy/ test 0: Phase 2.4 checking zip directory: 209 11/11-hsqc/ test 0: Phase 2.4 checking zip directory: 210 11/11-X-ray/ test 0: Phase 2.4 checking zip directory: 213 11/11-hmbc/ test 0: Phase 2.4 checking zip directory: 215 11/11-13C/ test 0: Phase 2.4 checking zip directory: 8 11/11-13C/11-13C.zip|63/pdata/ test 0: Phase 2.4 checking zip directory: 9 11/11-13C/11-13C.zip|63/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 11/11-hmbc/11-hmbc.zip|64/pdata/ test 0: Phase 2.4 checking zip directory: 8 11/11-hmbc/11-hmbc.zip|64/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 11/11-1H/11-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 8 11/11-1H/11-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 238 12/ test 0: Phase 2.4 checking zip directory: 239 12/12-hmbc/ test 0: Phase 2.4 checking zip directory: 240 12/12-hsqc/ test 0: Phase 2.4 checking zip directory: 244 12/12-1H/ test 0: Phase 2.4 checking zip directory: 245 12/12-X-ray/ test 0: Phase 2.4 checking zip directory: 246 12/12-cosy/ test 0: Phase 2.4 checking zip directory: 247 12/12-13C/ test 0: Phase 2.4 checking zip directory: 248 12/12-IR/ test 0: Phase 2.4 checking zip directory: 7 12/12-13C/12-13C.zip|73/pdata/ test 0: Phase 2.4 checking zip directory: 8 12/12-13C/12-13C.zip|73/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 12/12-1H/12-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 7 12/12-1H/12-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 273 14/ test 0: Phase 2.4 checking zip directory: 274 14/14-1H/ test 0: Phase 2.4 checking zip directory: 275 14/14-IR/ test 0: Phase 2.4 checking zip directory: 276 14/14-hsqc/ test 0: Phase 2.4 checking zip directory: 278 14/14-hmbc/ test 0: Phase 2.4 checking zip directory: 279 14/14-cosy/ test 0: Phase 2.4 checking zip directory: 282 14/14-13C/ test 0: Phase 2.4 checking zip directory: 285 14/14-X-ray/ test 0: Phase 2.4 checking zip directory: 7 14/14-13C/14-13C.zip|93/pdata/ test 0: Phase 2.4 checking zip directory: 8 14/14-13C/14-13C.zip|93/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 14/14-1H/14-1H.zip|90/pdata/ test 0: Phase 2.4 checking zip directory: 7 14/14-1H/14-1H.zip|90/pdata/1/ test 0: Phase 2.4 checking zip directory: 308 15/ test 0: Phase 2.4 checking zip directory: 309 15/15-IR/ test 0: Phase 2.4 checking zip directory: 310 15/15-1H/ test 0: Phase 2.4 checking zip directory: 313 15/15-X-ray/ test 0: Phase 2.4 checking zip directory: 314 15/15-solvate-X-ray/ test 0: Phase 2.4 checking zip directory: 316 15/15-13C/ test 0: Phase 2.4 checking zip directory: 8 15/15-13C/15b-13C.zip|32/pdata/ test 0: Phase 2.4 checking zip directory: 9 15/15-13C/15b-13C.zip|32/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/ test 0: Phase 2.4 checking zip directory: 8 15/15-1H/15b-1H.zip|Mg-Pmb complex 1H/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/ test 0: Phase 2.4 checking zip directory: 8 15/15-1H/15b-1H-a.zip|Mg-Pmb complex 1H (long exp)/pdata/1/ test 0: Phase 2.4 checking zip directory: 334 16/ test 0: Phase 2.4 checking zip directory: 337 16/16-hmbc/ test 0: Phase 2.4 checking zip directory: 340 16/16-1H/ test 0: Phase 2.4 checking zip directory: 341 16/16-13C/ test 0: Phase 2.4 checking zip directory: 342 16/16-X-ray/ test 0: Phase 2.4 checking zip directory: 344 16/16-IR/ test 0: Phase 2.4 checking zip directory: 345 16/16-hsqc/ test 0: Phase 2.4 checking zip directory: 8 16/16-13C/16-13C.zip|51/pdata/ test 0: Phase 2.4 checking zip directory: 9 16/16-13C/16-13C.zip|51/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 16/16-1H/16-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 16/16-1H/16-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 364 17/ test 0: Phase 2.4 checking zip directory: 367 17/17-cosy/ test 0: Phase 2.4 checking zip directory: 369 17/17-hmbc/ test 0: Phase 2.4 checking zip directory: 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18/18-1H/18-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 7 18/18-1H/18-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 18/18-13C/18-13C.zip|71/pdata/ test 0: Phase 2.4 checking zip directory: 9 18/18-13C/18-13C.zip|71/pdata/1/ test 0: Phase 2.4 checking zip directory: 429 19/ test 0: Phase 2.4 checking zip directory: 431 19/19-hsqc/ test 0: Phase 2.4 checking zip directory: 434 19/19-13C/ test 0: Phase 2.4 checking zip directory: 436 19/19-X-ray/ test 0: Phase 2.4 checking zip directory: 437 19/19-hmbc/ test 0: Phase 2.4 checking zip directory: 438 19/19-IR/ test 0: Phase 2.4 checking zip directory: 439 19/19-1H/ test 0: Phase 2.4 checking zip directory: 6 19/19-1H/19-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 19/19-1H/19-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 19/19-13C/19-13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 19/19-13C/19-13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 459 20/ test 0: Phase 2.4 checking zip directory: 460 20/20-1H/ test 0: Phase 2.4 checking zip directory: 461 20/20-13C/ test 0: Phase 2.4 checking zip directory: 463 20/20-IR/ test 0: Phase 2.4 checking zip directory: 465 20/20-X-ray/ test 0: Phase 2.4 checking zip directory: 467 20/20-hmbc/ test 0: Phase 2.4 checking zip directory: 468 20/20-hsqc/ test 0: Phase 2.4 checking zip directory: 7 20/20-13C/20-13C.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 8 20/20-13C/20-13C.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 20/20-1H/20-1H.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 20/20-1H/20-1H.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 489 21/ test 0: Phase 2.4 checking zip directory: 490 21/21-13C/ test 0: Phase 2.4 checking zip directory: 492 21/21-IR/ test 0: Phase 2.4 checking zip directory: 493 21/21-X-ray/ test 0: Phase 2.4 checking zip directory: 494 21/21-1H/ test 0: Phase 2.4 checking zip directory: 495 21/21-cosy/ test 0: Phase 2.4 checking zip directory: 500 21/21-hmbc/ test 0: Phase 2.4 checking zip directory: 501 21/21-hsqc/ test 0: Phase 2.4 checking zip directory: 6 21/21-1H/21-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 7 21/21-1H/21-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 21/21-13C/21-13C.zip|1/pdata/ test 0: Phase 2.4 checking zip directory: 8 21/21-13C/21-13C.zip|1/pdata/1/ test 0: Phase 2.4 checking zip directory: 525 24/ test 0: Phase 2.4 checking zip directory: 527 24/24-hmbc/ test 0: Phase 2.4 checking zip directory: 528 24/24-1H/ test 0: Phase 2.4 checking zip directory: 530 24/24-13C/ test 0: Phase 2.4 checking zip directory: 531 24/24-IR/ test 0: Phase 2.4 checking zip directory: 532 24/24-X-ray/ test 0: Phase 2.4 checking zip directory: 533 24/24-hsqc/ test 0: Phase 2.4 checking zip directory: 537 24/24-cosy/ test 0: Phase 2.4 checking zip directory: 7 24/24-13C/24-13C.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 24/24-13C/24-13C.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 24/24-1H/24-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 24/24-1H/24-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 24/24-hmbc/24-hmbc.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 9 24/24-hmbc/24-hmbc.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 560 25/ test 0: Phase 2.4 checking zip directory: 562 25/25-X-ray/ test 0: Phase 2.4 checking zip directory: 563 25/25-IR/ test 0: Phase 2.4 checking zip directory: 565 25/25-1H/ test 0: Phase 2.4 checking zip directory: 566 25/25-hmbc/ test 0: Phase 2.4 checking zip directory: 567 25/25-13C/ test 0: Phase 2.4 checking zip directory: 568 25/25-hsqc/ test 0: Phase 2.4 checking zip directory: 572 25/25-cosy/ test 0: Phase 2.4 checking zip directory: 8 25/25-13C/25-13C.zip|73/pdata/ test 0: Phase 2.4 checking zip directory: 9 25/25-13C/25-13C.zip|73/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 25/25-1H/25-1H.zip|70/pdata/ test 0: Phase 2.4 checking zip directory: 8 25/25-1H/25-1H.zip|70/pdata/1/ test 0: Phase 2.4 checking zip directory: 595 28/ test 0: Phase 2.4 checking zip directory: 596 28/28-hmbc/ test 0: Phase 2.4 checking zip directory: 598 28/28-hsqc/ test 0: Phase 2.4 checking zip directory: 599 28/28-1H/ test 0: Phase 2.4 checking zip directory: 601 28/28-X-ray/ test 0: Phase 2.4 checking zip directory: 603 28/28-IR/ test 0: Phase 2.4 checking zip directory: 604 28/28-13C/ test 0: Phase 2.4 checking zip directory: 8 28/28-13C/28-13C.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 28/28-13C/28-13C.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 28/28-1H/28-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 28/28-1H/28-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 625 33/ test 0: Phase 2.4 checking zip directory: 628 33/33-acetone-d6/ test 0: Phase 2.4 checking zip directory: 629 33/33-CDCl3/ test 0: Phase 2.4 checking zip directory: 631 33/33-x-ray/ test 0: Phase 2.4 checking zip directory: 632 33/33-IR/ test 0: Phase 2.4 checking zip directory: 636 33/33-CDCl3/33-in CDCl3 hmbc/ test 0: Phase 2.4 checking zip directory: 637 33/33-CDCl3/33-in CDCl3 13C/ test 0: Phase 2.4 checking zip directory: 639 33/33-CDCl3/33-in CDCl3 1H/ test 0: Phase 2.4 checking zip directory: 640 33/33-CDCl3/33-in CDCl3 hmqc/ test 0: Phase 2.4 checking zip directory: 641 33/33-CDCl3/33-in CDCl3 cosy/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 cosy/33-in CDCl3 cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 33/33-CDCl3/33-in CDCl3 1H/33-in CDCl3 1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 13C/33-in CDCl3 13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-CDCl3/33-in CDCl3 hmbc/33-in CDCl3 hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 662 33/33-acetone-d6/33-in acetone-d6 13C/ test 0: Phase 2.4 checking zip directory: 663 33/33-acetone-d6/33-in acetone-d6 hmbc/ test 0: Phase 2.4 checking zip directory: 664 33/33-acetone-d6/33-in acetone-d6 1H/ test 0: Phase 2.4 checking zip directory: 666 33/33-acetone-d6/33-in acetone-d6 hmqc/ test 0: Phase 2.4 checking zip directory: 6 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/ test 0: Phase 2.4 checking zip directory: 7 33/33-acetone-d6/33-in acetone-d6 1H/33-in acetone-d6 1H.zip|110/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/ test 0: Phase 2.4 checking zip directory: 8 33/33-acetone-d6/33-in acetone-d6 hmbc/33-in acetone-d6 hmbc.zip|112/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/ test 0: Phase 2.4 checking zip directory: 9 33/33-acetone-d6/33-in acetone-d6 13C/33-in acetone-d6 13C.zip|111/pdata/1/ test 0: Phase 2.4 checking zip directory: 683 34/ test 0: Phase 2.4 checking zip directory: 685 34/34-IR/ test 0: Phase 2.4 checking zip directory: 689 34/34-X-Ray/ test 0: Phase 2.4 checking zip directory: 690 34/34-NMR-acetone-d6/ test 0: Phase 2.4 checking zip directory: 691 34/34-NMR-CDCl3/ test 0: Phase 2.4 checking zip directory: 692 34/34-NMR-CDCl3/34-in CDCl3 hmbc/ test 0: Phase 2.4 checking zip directory: 693 34/34-NMR-CDCl3/34-in CDCl3 13C/ test 0: Phase 2.4 checking zip directory: 695 34/34-NMR-CDCl3/34-in CDCl3 hsqc/ test 0: Phase 2.4 checking zip directory: 696 34/34-NMR-CDCl3/34-in CDCl3 1H/ test 0: Phase 2.4 checking zip directory: 697 34/34-NMR-CDCl3/34-in CDCl3 cosy/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 cosy/34-in CDCl3 cosy.zip|31/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/pdata/ test 0: Phase 2.4 checking zip directory: 7 34/34-NMR-CDCl3/34-in CDCl3 1H/34-in CDCl3 1H.zip|30/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/pdata/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 13C/34-in CDCl3 13C.zip|33/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-CDCl3/34-in CDCl3 hmbc/34-in CDCl3 hmbc.zip|34/pdata/1/ test 0: Phase 2.4 checking zip directory: 719 34/34-NMR-acetone-d6/34-in acetone-d6 13C/ test 0: Phase 2.4 checking zip directory: 720 34/34-NMR-acetone-d6/34-in acetone-d6 1H/ test 0: Phase 2.4 checking zip directory: 721 34/34-NMR-acetone-d6/34-in acetone-d6 hmbc/ test 0: Phase 2.4 checking zip directory: 722 34/34-NMR-acetone-d6/34-in acetone-d6 hsqc/ test 0: Phase 2.4 checking zip directory: 6 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/ test 0: Phase 2.4 checking zip directory: 7 34/34-NMR-acetone-d6/34-in acetone-d6 1H/34-in acetone-d6 1H.zip|120/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/ test 0: Phase 2.4 checking zip directory: 9 34/34-NMR-acetone-d6/34-in acetone-d6 13C/34-in acetone-d6 13C.zip|11/pdata/1/ test 0: Phase 2.4 checking zip directory: 741 37/ test 0: Phase 2.4 checking zip directory: 745 37/37-13C/ test 0: Phase 2.4 checking zip directory: 746 37/37-cosy/ test 0: Phase 2.4 checking zip directory: 747 37/37-X-ray/ test 0: Phase 2.4 checking zip directory: 749 37/37-hmbc/ test 0: Phase 2.4 checking zip directory: 750 37/37-IR/ test 0: Phase 2.4 checking zip directory: 752 37/37-hsqc/ test 0: Phase 2.4 checking zip directory: 753 37/37-1H/ test 0: Phase 2.4 checking zip directory: 6 37/37-1H/37-1H.zip|50/pdata/ test 0: Phase 2.4 checking zip directory: 7 37/37-1H/37-1H.zip|50/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 37/37-cosy/37-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 9 37/37-cosy/37-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 37/37-13C/37-3C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 9 37/37-13C/37-3C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 776 38/ test 0: Phase 2.4 checking zip directory: 777 38/38-X-ray/ test 0: Phase 2.4 checking zip directory: 779 38/38-hmbc/ test 0: Phase 2.4 checking zip directory: 782 38/38-hmqc/ test 0: Phase 2.4 checking zip directory: 783 38/38-cosy/ test 0: Phase 2.4 checking zip directory: 784 38/38-1H/ test 0: Phase 2.4 checking zip directory: 786 38/38-IR/ test 0: Phase 2.4 checking zip directory: 788 38/38-13C/ test 0: Phase 2.4 checking zip directory: 7 38/38-13C/38-13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-13C/38-13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 38/38-1H/38-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 7 38/38-1H/38-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 38/38-cosy/38-cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-cosy/38-cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 38/38-hmbc/38-hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 38/38-hmbc/38-hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 811 39/ test 0: Phase 2.4 checking zip directory: 815 39/39-X-ray/ test 0: Phase 2.4 checking zip directory: 817 39/39-hmbc/ test 0: Phase 2.4 checking zip directory: 818 39/39b-X-ray/ test 0: Phase 2.4 checking zip directory: 819 39/39-IR/ test 0: Phase 2.4 checking zip directory: 820 39/39-1H/ test 0: Phase 2.4 checking zip directory: 821 39/39-cosy/ test 0: Phase 2.4 checking zip directory: 822 39/39-hmqc/ test 0: Phase 2.4 checking zip directory: 824 39/39-13C/ test 0: Phase 2.4 checking zip directory: 8 39/39-13C/39-13C.zip|43/pdata/ test 0: Phase 2.4 checking zip directory: 9 39/39-13C/39-13C.zip|43/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-cosy/39-cosy.zip|41/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-cosy/39-cosy.zip|41/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-1H/39-1H.zip|40/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-1H/39-1H.zip|40/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 39/39-hmbc/39-hmbc.zip|44/pdata/ test 0: Phase 2.4 checking zip directory: 8 39/39-hmbc/39-hmbc.zip|44/pdata/1/ test 0: Phase 2.4 checking zip directory: 848 40/ test 0: Phase 2.4 checking zip directory: 849 40/40-IR/ test 0: Phase 2.4 checking zip directory: 850 40/40-1H/ test 0: Phase 2.4 checking zip directory: 851 40/40-X-ray/ test 0: Phase 2.4 checking zip directory: 854 40/40-13C/ test 0: Phase 2.4 checking zip directory: 856 40/40-cosy/ test 0: Phase 2.4 checking zip directory: 857 40/40-hmqc/ test 0: Phase 2.4 checking zip directory: 859 40/40-hmbc/ test 0: Phase 2.4 checking zip directory: 7 40/40-hmbc/40-hmbc.zip|24/pdata/ test 0: Phase 2.4 checking zip directory: 8 40/40-hmbc/40-hmbc.zip|24/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 40/40-cosy/40-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 40/40-cosy/40-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 40/40-13C/40-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 9 40/40-13C/40-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 40/40-1H/40-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 40/40-1H/40-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 883 42/ test 0: Phase 2.4 checking zip directory: 884 42/42-X-ray/ test 0: Phase 2.4 checking zip directory: 889 42/42-IR/ test 0: Phase 2.4 checking zip directory: 892 46/ test 0: Phase 2.4 checking zip directory: 894 46/46-X-ray/ test 0: Phase 2.4 checking zip directory: 897 46/46-IR/ test 0: Phase 2.4 checking zip directory: 901 49/ test 0: Phase 2.4 checking zip directory: 902 49/49-hmbc/ test 0: Phase 2.4 checking zip directory: 905 49/49-hsqc/ test 0: Phase 2.4 checking zip directory: 907 49/49-1H/ test 0: Phase 2.4 checking zip directory: 908 49/49-13C/ test 0: Phase 2.4 checking zip directory: 909 49/49-IR/ test 0: Phase 2.4 checking zip directory: 911 49/49-X-ray/ test 0: Phase 2.4 checking zip directory: 912 49/49-cosy/ test 0: Phase 2.4 checking zip directory: 7 49/49-13C/49-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 8 49/49-13C/49-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 49/49-1H/49-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 7 49/49-1H/49-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 937 50/ test 0: Phase 2.4 checking zip directory: 938 50/50-IR/ test 0: Phase 2.4 checking zip directory: 939 50/50-1H/ test 0: Phase 2.4 checking zip directory: 940 50/50-cosy/ test 0: Phase 2.4 checking zip directory: 941 50/50-13C/ test 0: Phase 2.4 checking zip directory: 944 50/50-hsqc/ test 0: Phase 2.4 checking zip directory: 945 50/50-X-ray/ test 0: Phase 2.4 checking zip directory: 946 50/50-hmbc/ test 0: Phase 2.4 checking zip directory: 7 50/50-13C/50-13C.zip|63/pdata/ test 0: Phase 2.4 checking zip directory: 8 50/50-13C/50-13C.zip|63/pdata/1/ test 0: Phase 2.4 checking zip directory: 6 50/50-1H/50-1H.zip|60/pdata/ test 0: Phase 2.4 checking zip directory: 7 50/50-1H/50-1H.zip|60/pdata/1/ test 0: Phase 2.4 checking zip directory: 972 53/ test 0: Phase 2.4 checking zip directory: 976 53/53-IR/ test 0: Phase 2.4 checking zip directory: 977 53/53-X-ray/ test 0: Phase 2.4 checking zip directory: 981 54/ test 0: Phase 2.4 checking zip directory: 983 54/54-IR/ test 0: Phase 2.4 checking zip directory: 985 54/54-X-ray/ test 0: Phase 2.4 checking zip directory: 990 55/ test 0: Phase 2.4 checking zip directory: 991 55/55-IR/ test 0: Phase 2.4 checking zip directory: 995 55/55-X-ray/ test 0: Phase 2.4 checking zip directory: 999 56/ test 0: Phase 2.4 checking zip directory: 1002 56/56-X-ray/ test 0: Phase 2.4 checking zip directory: 1004 56/56-IR/ test 0: Phase 2.4 checking zip directory: 1006 56/56-comp/ test 0: Phase 2.4 checking zip directory: 1007 56/56-comp/10292/ test 0: Phase 2.4 checking zip directory: 1008 56/56-comp/10323/ test 0: Phase 2.4 checking zip directory: 1009 56/56-comp/10311/ test 0: Phase 2.4 checking zip directory: 1024 57/ test 0: Phase 2.4 checking zip directory: 1029 57/57-x-ray/ test 0: Phase 2.4 checking zip directory: 1030 57/57-IR/ test 0: Phase 2.4 checking zip directory: 1033 58/ test 0: Phase 2.4 checking zip directory: 1037 58/58-X-ray/ test 0: Phase 2.4 checking zip directory: 1038 58/58-IR/ test 0: Phase 2.4 checking zip directory: 1042 60/ test 0: Phase 2.4 checking zip directory: 1043 60/60-X-ray/ test 0: Phase 2.4 checking zip directory: 1044 60/60-IR/ test 0: Phase 2.4 checking zip directory: 1051 61/ test 0: Phase 2.4 checking zip directory: 1052 61/61-1H/ test 0: Phase 2.4 checking zip directory: 1055 61/61-IR/ test 0: Phase 2.4 checking zip directory: 1056 61/61-cosy/ test 0: Phase 2.4 checking zip directory: 1057 61/61-X-Ray/ test 0: Phase 2.4 checking zip directory: 1058 61/61-hmqc/ test 0: Phase 2.4 checking zip directory: 1060 61/61-hmbc/ test 0: Phase 2.4 checking zip directory: 1061 61/61-13C/ test 0: Phase 2.4 checking zip directory: 7 61/61-13C/61-13C.zip|23/pdata/ test 0: Phase 2.4 checking zip directory: 8 61/61-13C/61-13C.zip|23/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 61/61-hmbc/61-hmbc.zip|25/pdata/ test 0: Phase 2.4 checking zip directory: 9 61/61-hmbc/61-hmbc.zip|25/pdata/1/ test 0: Phase 2.4 checking zip directory: 9 61/61-hmqc/61-hmqc.zip|24/pdata/ test 0: Phase 2.4 checking zip directory: 10 61/61-hmqc/61-hmqc.zip|24/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 61/61-cosy/61-cosy.zip|22/pdata/ test 0: Phase 2.4 checking zip directory: 9 61/61-cosy/61-cosy.zip|22/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 61/61-1H/61-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 61/61-1H/61-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 1086 62/ test 0: Phase 2.4 checking zip directory: 1089 62/62-X-Ray/ test 0: Phase 2.4 checking zip directory: 1091 62/62-hmbc/ test 0: Phase 2.4 checking zip directory: 1092 62/62-13C/ test 0: Phase 2.4 checking zip directory: 1094 62/62-cosy/ test 0: Phase 2.4 checking zip directory: 1095 62/62-hmqc/ test 0: Phase 2.4 checking zip directory: 1096 62/62-IR/ test 0: Phase 2.4 checking zip directory: 1098 62/62-1H/ test 0: Phase 2.4 checking zip directory: 7 62/62-1H/62-1H.zip|20/pdata/ test 0: Phase 2.4 checking zip directory: 8 62/62-1H/62-1H.zip|20/pdata/1/ test 0: Phase 2.4 checking zip directory: 7 62/62-cosy/62-cosy.zip|21/pdata/ test 0: Phase 2.4 checking zip directory: 8 62/62-cosy/62-cosy.zip|21/pdata/1/ test 0: Phase 2.4 checking zip directory: 8 62/62-13C/62-13C.zip|10/pdata/ test 0: Phase 2.4 checking zip directory: 9 62/62-13C/62-13C.zip|10/pdata/1/ test 0: Phase 2.4 checking zip directory: 1121 65/ test 0: Phase 2.4 checking zip directory: 1123 65/65-IR/ test 0: Phase 2.4 checking zip directory: 1125 65/65-X-ray/ test 0: Phase 2.4 checking zip directory: 1130 66/ test 0: Phase 2.4 checking zip directory: 1131 66/66-X-ray/ test 0: Phase 2.4 checking zip directory: 1136 66/66-IR/ test 0: Phase 2.4 checking zip directory: 1139 70/ test 0: Phase 2.4 checking zip directory: 1141 70/70-IR/ test 0: Phase 2.4 checking zip directory: 1143 70/70-X-ray/ test 0: Phase 2.4 checking zip directory: 1148 73/ test 0: Phase 2.4 checking zip directory: 1151 73/73-x-ray/ test 0: Phase 2.4 checking zip directory: 1153 74/ test 0: Phase 2.4 checking zip directory: 1155 74/74-x-ray/ test 0: Phase 2.4 checking zip directory: 1158 75/ test 0: Phase 2.4 checking zip directory: 1159 75/75-x-ray/ test 0: Phase 2.4 checking zip directory: 1161 76/ test 0: Phase 2.4 checking zip directory: 1163 76/76-x-ray/ test 0: !saved c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\_IFD_manifest.json (892 items) test 0: !saved c:\temp\iupac\henry\v_acs\icl-ifd\v_acs\_IFD_ignored.json (15 items) test 0: !FAIRSpecExtractionHelper.dumpSummary extraction complete: ! [[Resource 1: ./Archive.tar.gz len 182338201]] ! [IFDStructure 0 id=5 size=10 isValid=true] [IFDStructure 1 id=6 size=7 isValid=true] [IFDStructure 2 id=8 size=7 isValid=true] [IFDStructure 3 id=9 size=7 isValid=true] [IFDStructure 4 id=10 size=7 isValid=true] [IFDStructure 5 id=11 size=10 isValid=true] [IFDStructure 6 id=12 size=10 isValid=true] [IFDStructure 7 id=14 size=10 isValid=true] [IFDStructure 8 id=15 size=13 isValid=true] [IFDStructure 9 id=15b size=8 isValid=true] [IFDStructure 10 id=16 size=10 isValid=true] [IFDStructure 11 id=17 size=10 isValid=true] [IFDStructure 12 id=18 size=10 isValid=true] [IFDStructure 13 id=19 size=10 isValid=true] [IFDStructure 14 id=20 size=10 isValid=true] [IFDStructure 15 id=21 size=10 isValid=true] [IFDStructure 16 id=Bis(ethanol) bis(4-benzoyl-1-(4-methoxybenzyl)-1H-pyrazol-5-olate)calcium (21) size=6 isValid=true] [IFDStructure 17 id=24 size=10 isValid=true] [IFDStructure 18 id=25 size=10 isValid=true] [IFDStructure 19 id=28 size=10 isValid=true] [IFDStructure 20 id=33 size=10 isValid=true] [IFDStructure 21 id=34 size=10 isValid=true] [IFDStructure 22 id=37 size=10 isValid=true] [IFDStructure 23 id=38 size=10 isValid=true] [IFDStructure 24 id=39 size=13 isValid=true] [IFDStructure 25 id=40 size=10 isValid=true] [IFDStructure 26 id=42 size=10 isValid=true] [IFDStructure 27 id=46 size=10 isValid=true] [IFDStructure 28 id=49 size=10 isValid=true] [IFDStructure 29 id=50 size=10 isValid=true] [IFDStructure 30 id=53 size=10 isValid=true] [IFDStructure 31 id=54 size=10 isValid=true] [IFDStructure 32 id=55 size=10 isValid=true] [IFDStructure 33 id=56 size=10 isValid=true] [IFDStructure 34 id=57 size=10 isValid=true] [IFDStructure 35 id=58 size=10 isValid=true] [IFDStructure 36 id=60 size=10 isValid=true] [IFDStructure 37 id=61 size=10 isValid=true] [IFDStructure 38 id=62 size=10 isValid=true] [IFDStructure 39 id=65 size=10 isValid=true] [IFDStructure 40 id=66 size=10 isValid=true] [IFDStructure 41 id=70 size=10 isValid=true] [IFDStructure 42 id=73 size=6 isValid=true] [IFDStructure 43 id=74 size=9 isValid=true] [IFDStructure 44 id=76 size=9 isValid=true] [IFDStructure 45 id=AB2127_x.cif size=1 isValid=true] [IFDStructure 46 id=AB2238_x.cif size=1 isValid=true] [IFDStructure 47 id=AB2120_x.cif size=1 isValid=true] [IFDStructure 48 id=AB2204_x.cif size=1 isValid=true] [IFDStructure 49 id=AB2118b.cif size=1 isValid=true] [IFDStructure 50 id=AB2111.cif size=1 isValid=true] [IFDStructure 51 id=AB2116b_x.cif size=1 isValid=true] [IFDStructure 52 id=AB2221_x.cif size=1 isValid=true] [IFDStructure 53 id=AB2115_x.cif size=1 isValid=true] [IFDStructure 54 id=AB2119_x.cif size=1 isValid=true] [IFDStructure 55 id=AB2117_x.cif size=1 isValid=true] [IFDStructure 56 id=AB2144_x.cif size=1 isValid=true] [IFDStructure 57 id=AB2123_x.cif size=1 isValid=true] [IFDStructure 58 id=AB2141_x.cif size=1 isValid=true] [IFDStructure 59 id=AB2218_x.cif size=1 isValid=true] [IFDStructure 60 id=AB2121_x.cif size=1 isValid=true] [IFDStructure 61 id=AB2124_x.cif size=1 isValid=true] [IFDStructure 62 id=AB2149_x.cif size=1 isValid=true] [IFDStructure 63 id=AB2157_x.cif size=1 isValid=true] [IFDStructure 64 id=AB2143_x.cif size=1 isValid=true] [IFDStructure 65 id=AB2146_x.cif size=1 isValid=true] [IFDStructure 66 id=AB2130_x.cif size=1 isValid=true] [IFDStructure 67 id=AB2207_x.cif size=1 isValid=true] [IFDStructure 68 id=AB2210_x.cif size=1 isValid=true] [IFDStructure 69 id=AB2133b_x.cif size=1 isValid=true] [IFDStructure 70 id=AB2128_x.cif size=1 isValid=true] [IFDStructure 71 id=AB2208_x.cif size=1 isValid=true] [IFDStructure 72 id=AB2153_x.cif size=1 isValid=true] [IFDStructure 73 id=AB2246_x.cif size=1 isValid=true] [IFDStructure 74 id=AB2226_x.cif size=1 isValid=true] [IFDStructure 75 id=AB2212_x.cif size=1 isValid=true] [IFDStructure 76 id=AB2237_x.cif size=1 isValid=true] [IFDStructure 77 id=AB2241_x.cif size=1 isValid=true] [IFDStructure 78 id=AB2223_x.cif size=1 isValid=true] [IFDStructure 79 id=AB2151_x.cif size=1 isValid=true] [IFDStructure 80 id=AB2222_x.cif size=1 isValid=true] [IFDStructure 81 id=AB2202_x.cif size=1 isValid=true] [IFDStructure 82 id=AB2205_x.cif size=1 isValid=true] [IFDStructure 83 id=AB2301.cif size=1 isValid=true] [IFDStructure 84 id=LBTML2.cif size=1 isValid=true] [IFDStructure 85 id=AB2307.cif size=3 isValid=true] [IFDStructure 86 id=LB-UO2L4.cif size=1 isValid=true] [IFDStructure 87 id=56-comp/10311 size=5 isValid=true] [IFDStructure 88 id=56-comp/10323 size=5 isValid=true] [IFDStructure 89 id=56-comp/10292 size=5 isValid=true] ## 90 structures [FAIRSpecCOMPData 0 id=56-comp/10311/56 size=1 isValid=true] [FAIRSpecCOMPData 1 id=56-comp/10323/56 size=1 isValid=true] [FAIRSpecCOMPData 2 id=56-comp/10292/56 size=1 isValid=true] [FAIRSpecIRData 3 id=5-IR size=1 isValid=true] [FAIRSpecIRData 4 id=6-IR size=1 isValid=true] [FAIRSpecIRData 5 id=8-IR size=1 isValid=true] [FAIRSpecIRData 6 id=9-IR size=1 isValid=true] [FAIRSpecIRData 7 id=10-IR size=1 isValid=true] [FAIRSpecIRData 8 id=11-IR size=1 isValid=true] [FAIRSpecIRData 9 id=12-IR size=1 isValid=true] [FAIRSpecIRData 10 id=14-IR size=1 isValid=true] [FAIRSpecIRData 11 id=15-IR size=1 isValid=true] [FAIRSpecIRData 12 id=16-IR size=1 isValid=true] [FAIRSpecIRData 13 id=17-IR size=1 isValid=true] [FAIRSpecIRData 14 id=18-IR size=1 isValid=true] [FAIRSpecIRData 15 id=19-IR size=1 isValid=true] [FAIRSpecIRData 16 id=20-IR size=1 isValid=true] [FAIRSpecIRData 17 id=21-IR size=1 isValid=true] [FAIRSpecIRData 18 id=24-IR size=1 isValid=true] [FAIRSpecIRData 19 id=25-IR size=1 isValid=true] [FAIRSpecIRData 20 id=28-IR size=1 isValid=true] [FAIRSpecIRData 21 id=33-IR size=1 isValid=true] [FAIRSpecIRData 22 id=34-IR size=1 isValid=true] [FAIRSpecIRData 23 id=37-IR size=1 isValid=true] [FAIRSpecIRData 24 id=38-IR size=1 isValid=true] [FAIRSpecIRData 25 id=39-IR size=1 isValid=true] [FAIRSpecIRData 26 id=40-IR size=1 isValid=true] [FAIRSpecIRData 27 id=42-IR size=1 isValid=true] [FAIRSpecIRData 28 id=46-IR size=1 isValid=true] [FAIRSpecIRData 29 id=49-IR size=2 isValid=true] [FAIRSpecIRData 30 id=50-IR size=1 isValid=true] [FAIRSpecIRData 31 id=53-IR size=1 isValid=true] [FAIRSpecIRData 32 id=54-IR size=1 isValid=true] [FAIRSpecIRData 33 id=55-IR size=1 isValid=true] [FAIRSpecIRData 34 id=56-IR size=1 isValid=true] [FAIRSpecIRData 35 id=57-IR size=1 isValid=true] [FAIRSpecIRData 36 id=58-IR size=1 isValid=true] [FAIRSpecIRData 37 id=60-IR size=1 isValid=true] [FAIRSpecIRData 38 id=61-IR size=1 isValid=true] [FAIRSpecIRData 39 id=62-IR size=1 isValid=true] [FAIRSpecIRData 40 id=65-IR size=1 isValid=true] [FAIRSpecIRData 41 id=66-IR size=1 isValid=true] [FAIRSpecIRData 42 id=70-IR size=1 isValid=true] [FAIRSpecNMRData 43 id=5-1H in CD3OD.mnova size=1 isValid=true] [FAIRSpecNMRData 44 id=5-13C in CD3OD.mnova size=1 isValid=true] [FAIRSpecNMRData 45 id=5-1H in dmso-d6.mnova size=1 isValid=true] [FAIRSpecNMRData 46 id=5-in dmso-d6.mnova size=1 isValid=true] [FAIRSpecNMRData 47 id=6-hsqc in CDCl3.mnova size=1 isValid=true] [FAIRSpecNMRData 48 id=6-hmbc in CDCl3.mnova size=1 isValid=true] [FAIRSpecNMRData 49 id=6-1H in CDCl3.mnova size=1 isValid=true] [FAIRSpecNMRData 50 id=6-1H in CD3OD.mnova size=1 isValid=true] [FAIRSpecNMRData 51 id=6-13C in CDCl3.mnova size=1 isValid=true] [FAIRSpecNMRData 52 id=6-13C in CD3OD.mnova size=1 isValid=true] [FAIRSpecNMRData 53 id=6-cosy in CDCl3.mnova size=1 isValid=true] [FAIRSpecNMRData 54 id=8-13C in CD3OD.mnova size=1 isValid=true] [FAIRSpecNMRData 55 id=8-13C in CDCl3.mnova size=1 isValid=true] [FAIRSpecNMRData 56 id=8-hmbc in CDCl3.mnova size=1 isValid=true] [FAIRSpecNMRData 57 id=8-hmqc in CDCl3.mnova size=1 isValid=true] [FAIRSpecNMRData 58 id=8-1H in CD3OD.mnova size=1 isValid=true] [FAIRSpecNMRData 59 id=8-1H in CDCl3.mnova size=1 isValid=true] [FAIRSpecNMRData 60 id=9-keto form 1H.mnova size=1 isValid=true] [FAIRSpecNMRData 61 id=9-enol form cosy.mnova size=1 isValid=true] [FAIRSpecNMRData 62 id=9-enol form hmqc.mnova size=1 isValid=true] [FAIRSpecNMRData 63 id=9-enol form 1H.mnova size=1 isValid=true] [FAIRSpecNMRData 64 id=9-keto form 13C.mnova size=1 isValid=true] [FAIRSpecNMRData 65 id=9-enol form 13C.mnova size=1 isValid=true] [FAIRSpecNMRData 66 id=9-enol form hmbc.mnova size=1 isValid=true] [FAIRSpecNMRData 67 id=10-hmqc in CDCl3.mnova size=1 isValid=true] [FAIRSpecNMRData 68 id=10-hmbc in CDCl3.mnova size=1 isValid=true] [FAIRSpecNMRData 69 id=10-13C in CD3OD.mnova size=1 isValid=true] [FAIRSpecNMRData 70 id=10-13C in CDCl3.mnova size=1 isValid=true] [FAIRSpecNMRData 71 id=10-1H in CDCl3.mnova size=1 isValid=true] [FAIRSpecNMRData 72 id=10-1H in CD3OD.mnova size=1 isValid=true] [FAIRSpecNMRData 73 id=10-cosy in CDCl3.mnova size=1 isValid=true] [FAIRSpecNMRData 74 id=11-13C.mnova size=1 isValid=true] [FAIRSpecNMRData 75 id=11-hmbc.mnova size=1 isValid=true] [FAIRSpecNMRData 76 id=11-hsqc.mnova size=1 isValid=true] [FAIRSpecNMRData 77 id=11-1H.mnova size=1 isValid=true] [FAIRSpecNMRData 78 id=12-13C.mnova size=1 isValid=true] [FAIRSpecNMRData 79 id=12-1H.mnova size=1 isValid=true] [FAIRSpecNMRData 80 id=12-hsqc.mnova size=1 isValid=true] [FAIRSpecNMRData 81 id=12-hmbc.mnova size=1 isValid=true] [FAIRSpecNMRData 82 id=14-13C.mnova size=1 isValid=true] [FAIRSpecNMRData 83 id=14-hmbc.mnova size=1 isValid=true] [FAIRSpecNMRData 84 id=14-hsqc.mnova size=1 isValid=true] [FAIRSpecNMRData 85 id=14-1H.mnova size=1 isValid=true] [FAIRSpecNMRData 86 id=15b.mnova size=1 isValid=true] [FAIRSpecNMRData 87 id=15b-13C.mnova size=1 isValid=true] [FAIRSpecNMRData 88 id=15b-1H.mnova size=1 isValid=true] [FAIRSpecNMRData 89 id=16-hsqc.mnova size=1 isValid=true] [FAIRSpecNMRData 90 id=16-13C.mnova size=1 isValid=true] [FAIRSpecNMRData 91 id=16-1H.mnova size=1 isValid=true] [FAIRSpecNMRData 92 id=16-hmbc.mnova size=1 isValid=true] [FAIRSpecNMRData 93 id=17-1H.mnova size=1 isValid=true] [FAIRSpecNMRData 94 id=17-13C.mnova size=1 isValid=true] [FAIRSpecNMRData 95 id=17-hsqc.mnova size=1 isValid=true] [FAIRSpecNMRData 96 id=17-hmbc.mnova size=1 isValid=true] [FAIRSpecNMRData 97 id=18-1H.mnova size=1 isValid=true] [FAIRSpecNMRData 98 id=18-hmbc.mnova size=1 isValid=true] [FAIRSpecNMRData 99 id=18-13C.mnova size=1 isValid=true] [FAIRSpecNMRData 100 id=18-hsqc.mnova size=1 isValid=true] [FAIRSpecNMRData 101 id=19-1H.mnova size=1 isValid=true] [FAIRSpecNMRData 102 id=19-hmbc.mnova size=1 isValid=true] [FAIRSpecNMRData 103 id=19-13C.mnova size=1 isValid=true] [FAIRSpecNMRData 104 id=19-hsqc.mnova size=1 isValid=true] [FAIRSpecNMRData 105 id=20-hsqc.mnova size=1 isValid=true] [FAIRSpecNMRData 106 id=20-hmbc.mnova size=1 isValid=true] [FAIRSpecNMRData 107 id=20-13C.mnova size=1 isValid=true] [FAIRSpecNMRData 108 id=20-1H.mnova size=1 isValid=true] [FAIRSpecNMRData 109 id=21-hsqc.mnova size=1 isValid=true] [FAIRSpecNMRData 110 id=21-hmbc.mnova size=1 isValid=true] [FAIRSpecNMRData 111 id=21-1H.mnova size=1 isValid=true] [FAIRSpecNMRData 112 id=21-13C.mnova size=1 isValid=true] [FAIRSpecNMRData 113 id=24-hsqc.mnova size=1 isValid=true] [FAIRSpecNMRData 114 id=24-13C.mnova size=1 isValid=true] [FAIRSpecNMRData 115 id=24-1H.mnova size=1 isValid=true] [FAIRSpecNMRData 116 id=24-hmbc.mnova size=1 isValid=true] [FAIRSpecNMRData 117 id=25-hsqc.mnova size=1 isValid=true] [FAIRSpecNMRData 118 id=25-13C.mnova size=1 isValid=true] [FAIRSpecNMRData 119 id=25-hmbc.mnova size=1 isValid=true] [FAIRSpecNMRData 120 id=25-1H.mnova size=1 isValid=true] [FAIRSpecNMRData 121 id=28-13C.mnova size=1 isValid=true] [FAIRSpecNMRData 122 id=28-1H.mnova size=1 isValid=true] [FAIRSpecNMRData 123 id=28-hsqc.mnova size=1 isValid=true] [FAIRSpecNMRData 124 id=28-hmbc.mnova size=1 isValid=true] [FAIRSpecNMRData 125 id=33-in CDCl3 cosy.mnova size=1 isValid=true] [FAIRSpecNMRData 126 id=33-in CDCl3 hmqc.mnova size=1 isValid=true] [FAIRSpecNMRData 127 id=33-in CDCl3 1H.mnova size=1 isValid=true] [FAIRSpecNMRData 128 id=33-in CDCl3 13C.mnova size=1 isValid=true] [FAIRSpecNMRData 129 id=33-in CDCl3 hmbc.mnova size=1 isValid=true] [FAIRSpecNMRData 130 id=33-in acetone-d6 hmqc.mnova size=1 isValid=true] [FAIRSpecNMRData 131 id=33-in acetone-d6 1H.mnova size=1 isValid=true] [FAIRSpecNMRData 132 id=33-in acetone-d6 hmbc.mnova size=1 isValid=true] [FAIRSpecNMRData 133 id=33-in acetone-d6 13C.mnova size=1 isValid=true] [FAIRSpecNMRData 134 id=34-in CDCl3 cosy.mnova size=1 isValid=true] [FAIRSpecNMRData 135 id=34-in CDCl3 1H.mnova size=1 isValid=true] [FAIRSpecNMRData 136 id=34-in CDCl3 hsqc.mnova size=1 isValid=true] [FAIRSpecNMRData 137 id=34-in CDCl3 13C.mnova size=1 isValid=true] [FAIRSpecNMRData 138 id=34-in CDCl3 hmbc.mnova size=1 isValid=true] [FAIRSpecNMRData 139 id=34-in acetone-d6 hsqc.mnova size=1 isValid=true] [FAIRSpecNMRData 140 id=34-in acetone-d6 hmbc.mnova size=1 isValid=true] [FAIRSpecNMRData 141 id=34-in acetone-d6 1H.mnova size=1 isValid=true] [FAIRSpecNMRData 142 id=34-in acetone-d6 13C.mnova size=1 isValid=true] [FAIRSpecNMRData 143 id=37-1H.mnova size=1 isValid=true] [FAIRSpecNMRData 144 id=37-hmqc.mnova size=1 isValid=true] [FAIRSpecNMRData 145 id=37-hmbc.mnova size=1 isValid=true] [FAIRSpecNMRData 146 id=37-cosy.mnova size=1 isValid=true] [FAIRSpecNMRData 147 id=37-13C.mnova size=1 isValid=true] [FAIRSpecNMRData 148 id=38-13C.mnova size=1 isValid=true] [FAIRSpecNMRData 149 id=38-1H.mnova size=1 isValid=true] [FAIRSpecNMRData 150 id=38-cosy.mnova size=1 isValid=true] [FAIRSpecNMRData 151 id=38-hmqc.mnova size=1 isValid=true] [FAIRSpecNMRData 152 id=38-hmbc.mnova size=1 isValid=true] [FAIRSpecNMRData 153 id=39-13C.mnova size=1 isValid=true] [FAIRSpecNMRData 154 id=39-hmqc.mnova size=1 isValid=true] [FAIRSpecNMRData 155 id=39-cosy.mnova size=1 isValid=true] [FAIRSpecNMRData 156 id=39-1H.mnova size=1 isValid=true] [FAIRSpecNMRData 157 id=39-hmbc.mnova size=1 isValid=true] [FAIRSpecNMRData 158 id=40-hmbc.mnova size=1 isValid=true] [FAIRSpecNMRData 159 id=40-hmqc.mnova size=1 isValid=true] [FAIRSpecNMRData 160 id=40-cosy.mnova size=1 isValid=true] [FAIRSpecNMRData 161 id=40-13C.mnova size=1 isValid=true] [FAIRSpecNMRData 162 id=40-1H.mnova size=1 isValid=true] [FAIRSpecNMRData 163 id=49-13C.mnova size=1 isValid=true] [FAIRSpecNMRData 164 id=49-1H.mnova size=1 isValid=true] [FAIRSpecNMRData 165 id=49-hsqc.mnova size=1 isValid=true] [FAIRSpecNMRData 166 id=49-hmbc.mnova size=1 isValid=true] [FAIRSpecNMRData 167 id=50-hmbc.mnova size=1 isValid=true] [FAIRSpecNMRData 168 id=50-hsqc.mnova size=1 isValid=true] [FAIRSpecNMRData 169 id=50-13C.mnova size=1 isValid=true] [FAIRSpecNMRData 170 id=50-1H.mnova size=1 isValid=true] [FAIRSpecNMRData 171 id=61-13C.mnova size=1 isValid=true] [FAIRSpecNMRData 172 id=61-hmbc.mnova size=1 isValid=true] [FAIRSpecNMRData 173 id=61-hmqc.mnova size=1 isValid=true] [FAIRSpecNMRData 174 id=61-cosy.mnova size=1 isValid=true] [FAIRSpecNMRData 175 id=61-1H.mnova size=1 isValid=true] [FAIRSpecNMRData 176 id=62-1H.mnova size=1 isValid=true] [FAIRSpecNMRData 177 id=62-hmqc.mnova size=1 isValid=true] [FAIRSpecNMRData 178 id=62-cosy.mnova size=1 isValid=true] [FAIRSpecNMRData 179 id=62-13C.mnova size=1 isValid=true] [FAIRSpecNMRData 180 id=62-hmbc.mnova size=1 isValid=true] [FAIRSpecNMRData 181 id=5-1H in CD3OD size=4 isValid=true] [FAIRSpecNMRData 182 id=5-13C in CD3OD size=4 isValid=true] [FAIRSpecNMRData 183 id=5-1H in dmso-d6 size=4 isValid=true] [FAIRSpecNMRData 184 id=5-13C in dmso-d6 size=4 isValid=true] [FAIRSpecNMRData 185 id=6-hsqc in CDCl3 size=2 isValid=true] [FAIRSpecNMRData 186 id=6-hmbc in CDCl3 size=3 isValid=true] [FAIRSpecNMRData 187 id=6-1H in CDCl3 size=4 isValid=true] [FAIRSpecNMRData 188 id=6-1H in CD3OD size=4 isValid=true] [FAIRSpecNMRData 189 id=6-13C in CDCl3 size=4 isValid=true] [FAIRSpecNMRData 190 id=6-13C in CD3OD size=4 isValid=true] [FAIRSpecNMRData 191 id=6-cosy in CDCl3 size=3 isValid=true] [FAIRSpecNMRData 192 id=8-13C in CD3OD size=4 isValid=true] [FAIRSpecNMRData 193 id=8-13C in CDCl3 size=4 isValid=true] [FAIRSpecNMRData 194 id=8-hmbc in CDCl3 size=3 isValid=true] [FAIRSpecNMRData 195 id=8-hmqc in CDCl3 size=2 isValid=true] [FAIRSpecNMRData 196 id=8-1H in CD3OD size=4 isValid=true] [FAIRSpecNMRData 197 id=8-1H in CDCl3 size=4 isValid=true] [FAIRSpecNMRData 198 id=9-keto form 1H size=4 isValid=true] [FAIRSpecNMRData 199 id=9-enol form cosy size=3 isValid=true] [FAIRSpecNMRData 200 id=9-enol form hmqc size=2 isValid=true] [FAIRSpecNMRData 201 id=9-enol form 1H size=4 isValid=true] [FAIRSpecNMRData 202 id=9-keto form 13C size=4 isValid=true] [FAIRSpecNMRData 203 id=9-enol form 13C size=4 isValid=true] [FAIRSpecNMRData 204 id=9-enol form hmbc size=3 isValid=true] [FAIRSpecNMRData 205 id=10-hmqc in CDCl3 size=2 isValid=true] [FAIRSpecNMRData 206 id=10-hmbc in CDCl3 size=3 isValid=true] [FAIRSpecNMRData 207 id=10-13C in CD3OD size=4 isValid=true] [FAIRSpecNMRData 208 id=10-13C in CDCl3 size=4 isValid=true] [FAIRSpecNMRData 209 id=10-1H in CDCl3 size=4 isValid=true] [FAIRSpecNMRData 210 id=10-1H in CD3OD size=4 isValid=true] [FAIRSpecNMRData 211 id=10-cosy in CDCl3 size=3 isValid=true] [FAIRSpecNMRData 212 id=11-13C size=4 isValid=true] [FAIRSpecNMRData 213 id=11-hmbc size=3 isValid=true] [FAIRSpecNMRData 214 id=11-hsqc size=2 isValid=true] [FAIRSpecNMRData 215 id=11-1H size=4 isValid=true] [FAIRSpecNMRData 216 id=12-13C size=4 isValid=true] [FAIRSpecNMRData 217 id=12-1H size=4 isValid=true] [FAIRSpecNMRData 218 id=12hsqc size=1 isValid=true] [FAIRSpecNMRData 219 id=12-hmbc size=2 isValid=true] [FAIRSpecNMRData 220 id=14-13C size=4 isValid=true] [FAIRSpecNMRData 221 id=14-hmbc size=2 isValid=true] [FAIRSpecNMRData 222 id=14-hsqc size=2 isValid=true] [FAIRSpecNMRData 223 id=14-1H size=4 isValid=true] [FAIRSpecNMRData 224 id=15b size=2 isValid=true] [FAIRSpecNMRData 225 id=15b-1H size=4 isValid=true] [FAIRSpecNMRData 226 id=16-hsqc size=2 isValid=true] [FAIRSpecNMRData 227 id=16-13C size=4 isValid=true] [FAIRSpecNMRData 228 id=16-1H size=4 isValid=true] [FAIRSpecNMRData 229 id=16-hmbc size=2 isValid=true] [FAIRSpecNMRData 230 id=17-1H size=4 isValid=true] [FAIRSpecNMRData 231 id=17-13C size=3 isValid=true] [FAIRSpecNMRData 232 id=17-hsqc size=2 isValid=true] [FAIRSpecNMRData 233 id=17-hmbc size=2 isValid=true] [FAIRSpecNMRData 234 id=18-1H size=4 isValid=true] [FAIRSpecNMRData 235 id=18-HMBC size=2 isValid=true] [FAIRSpecNMRData 236 id=18-13C size=4 isValid=true] [FAIRSpecNMRData 237 id=18-JCAMP size=1 isValid=true] [FAIRSpecNMRData 238 id=19 size=7 isValid=true] [FAIRSpecNMRData 239 id=19-hsqc size=1 isValid=true] [FAIRSpecNMRData 240 id=20-hsqc size=2 isValid=true] [FAIRSpecNMRData 241 id=20-hmbc size=2 isValid=true] [FAIRSpecNMRData 242 id=20-13C size=4 isValid=true] [FAIRSpecNMRData 243 id=20-1H size=4 isValid=true] [FAIRSpecNMRData 244 id=21-hsqc size=2 isValid=true] [FAIRSpecNMRData 245 id=21-hmbc size=2 isValid=true] [FAIRSpecNMRData 246 id=21-1H size=4 isValid=true] [FAIRSpecNMRData 247 id=21-13C size=3 isValid=true] [FAIRSpecNMRData 248 id=24-hsqc size=2 isValid=true] [FAIRSpecNMRData 249 id=24-13C size=4 isValid=true] [FAIRSpecNMRData 250 id=24-1H size=4 isValid=true] [FAIRSpecNMRData 251 id=24-hmbc size=3 isValid=true] [FAIRSpecNMRData 252 id=25-hsqc size=2 isValid=true] [FAIRSpecNMRData 253 id=25-13C size=4 isValid=true] [FAIRSpecNMRData 254 id=25-hmbc size=2 isValid=true] [FAIRSpecNMRData 255 id=25-1H size=4 isValid=true] [FAIRSpecNMRData 256 id=28-13C size=4 isValid=true] [FAIRSpecNMRData 257 id=28-1H size=4 isValid=true] [FAIRSpecNMRData 258 id=28-hsqc size=2 isValid=true] [FAIRSpecNMRData 259 id=28-hmbc size=2 isValid=true] [FAIRSpecNMRData 260 id=33-in CDCl3 cosy size=3 isValid=true] [FAIRSpecNMRData 261 id=33-in CDCl3 hmqc size=2 isValid=true] [FAIRSpecNMRData 262 id=33-in CDCl3 1H size=4 isValid=true] [FAIRSpecNMRData 263 id=33-in CDCl3 13C size=4 isValid=true] [FAIRSpecNMRData 264 id=33-in CDCl3 hmbc size=3 isValid=true] [FAIRSpecNMRData 265 id=33-in acetone-d6 hmqc size=2 isValid=true] [FAIRSpecNMRData 266 id=33-in acetone-d6 1H size=4 isValid=true] [FAIRSpecNMRData 267 id=33-in acetone-d6 hmbc size=3 isValid=true] [FAIRSpecNMRData 268 id=33-in acetone-d6 13C size=4 isValid=true] [FAIRSpecNMRData 269 id=34-in CDCl3 cosy size=3 isValid=true] [FAIRSpecNMRData 270 id=34-in CDCl3 1H size=4 isValid=true] [FAIRSpecNMRData 271 id=34-in CDCl3 hsqc size=2 isValid=true] [FAIRSpecNMRData 272 id=34-in CDCl3 13C size=4 isValid=true] [FAIRSpecNMRData 273 id=34-in CDCl3 hmbc size=3 isValid=true] [FAIRSpecNMRData 274 id=34-in acetone-d6 hsqc size=2 isValid=true] [FAIRSpecNMRData 275 id=34-in acetone-d6 hmbc size=2 isValid=true] [FAIRSpecNMRData 276 id=34-in acetone-d6 1H size=4 isValid=true] [FAIRSpecNMRData 277 id=34-in acetone-d6 13C size=4 isValid=true] [FAIRSpecNMRData 278 id=37-1H size=4 isValid=true] [FAIRSpecNMRData 279 id=37-hmqc size=2 isValid=true] [FAIRSpecNMRData 280 id=37-hmbc size=2 isValid=true] [FAIRSpecNMRData 281 id=37-cosy size=3 isValid=true] [FAIRSpecNMRData 282 id=37-13C size=2 isValid=true] [FAIRSpecNMRData 283 id=38-13C size=4 isValid=true] [FAIRSpecNMRData 284 id=38-1H size=4 isValid=true] [FAIRSpecNMRData 285 id=38-cosy size=3 isValid=true] [FAIRSpecNMRData 286 id=38-hmqc size=2 isValid=true] [FAIRSpecNMRData 287 id=38-hmbc size=3 isValid=true] [FAIRSpecNMRData 288 id=39-13C size=4 isValid=true] [FAIRSpecNMRData 289 id=39-hmqc size=2 isValid=true] [FAIRSpecNMRData 290 id=39-cosy size=3 isValid=true] [FAIRSpecNMRData 291 id=39-1H size=4 isValid=true] [FAIRSpecNMRData 292 id=39-hmbc size=3 isValid=true] [FAIRSpecNMRData 293 id=40-hmbc size=3 isValid=true] [FAIRSpecNMRData 294 id=40-hmqc size=2 isValid=true] [FAIRSpecNMRData 295 id=40-cosy size=3 isValid=true] [FAIRSpecNMRData 296 id=40-13C size=4 isValid=true] [FAIRSpecNMRData 297 id=40-1H size=4 isValid=true] [FAIRSpecNMRData 298 id=49-13C size=4 isValid=true] [FAIRSpecNMRData 299 id=49-1H size=4 isValid=true] [FAIRSpecNMRData 300 id=49-hsqc size=2 isValid=true] [FAIRSpecNMRData 301 id=49-hmbc size=2 isValid=true] [FAIRSpecNMRData 302 id=50-hmbc size=2 isValid=true] [FAIRSpecNMRData 303 id=50-hsqc size=2 isValid=true] [FAIRSpecNMRData 304 id=50-13C size=4 isValid=true] [FAIRSpecNMRData 305 id=50-1H size=4 isValid=true] [FAIRSpecNMRData 306 id=61-13C size=4 isValid=true] [FAIRSpecNMRData 307 id=61-hmbc size=3 isValid=true] [FAIRSpecNMRData 308 id=61-hmqc size=3 isValid=true] [FAIRSpecNMRData 309 id=61-cosy size=3 isValid=true] [FAIRSpecNMRData 310 id=61-1H size=4 isValid=true] [FAIRSpecNMRData 311 id=62-1H size=4 isValid=true] [FAIRSpecNMRData 312 id=62-hmqc size=2 isValid=true] [FAIRSpecNMRData 313 id=62-cosy size=3 isValid=true] [FAIRSpecNMRData 314 id=62-13C size=3 isValid=true] [FAIRSpecNMRData 315 id=62-hmbc size=2 isValid=true] [FAIRSpecNMRData 316 id=15b-13C size=2 isValid=true] [FAIRSpecNMRData 317 id=15b-1H-a size=2 isValid=true] [FAIRSpecNMRData 318 id=19-1H size=2 isValid=true] [FAIRSpecNMRData 319 id=19-13C size=2 isValid=true] [FAIRSpecNMRData 320 id=37-3C size=2 isValid=true] [FAIRSpecNMRData 321 id=11-cosy size=1 isValid=true] [FAIRSpecNMRData 322 id=12-cosy size=1 isValid=true] [FAIRSpecNMRData 323 id=12-hsqc size=1 isValid=true] [FAIRSpecNMRData 324 id=14-cosy size=1 isValid=true] [FAIRSpecNMRData 325 id=17-cosy size=1 isValid=true] [FAIRSpecNMRData 326 id=18-hsqc size=1 isValid=true] [FAIRSpecNMRData 327 id=21-cosy size=1 isValid=true] [FAIRSpecNMRData 328 id=24-cosy size=1 isValid=true] [FAIRSpecNMRData 329 id=25-cosy size=1 isValid=true] [FAIRSpecNMRData 330 id=49-cosy size=1 isValid=true] [FAIRSpecNMRData 331 id=50-cosy size=1 isValid=true] [FAIRSpecXRAYData 332 id=AB2127_x.cif size=1 isValid=true] [FAIRSpecXRAYData 333 id=AB2238_x.cif size=1 isValid=true] [FAIRSpecXRAYData 334 id=AB2120_x.cif size=1 isValid=true] [FAIRSpecXRAYData 335 id=AB2204_x.cif size=1 isValid=true] [FAIRSpecXRAYData 336 id=AB2118b.cif size=1 isValid=true] [FAIRSpecXRAYData 337 id=AB2111.cif size=1 isValid=true] [FAIRSpecXRAYData 338 id=AB2116b_x.cif size=1 isValid=true] [FAIRSpecXRAYData 339 id=AB2221_x.cif size=1 isValid=true] [FAIRSpecXRAYData 340 id=AB2115_x.cif size=1 isValid=true] [FAIRSpecXRAYData 341 id=AB2119_x.cif size=1 isValid=true] [FAIRSpecXRAYData 342 id=AB2117_x.cif size=1 isValid=true] [FAIRSpecXRAYData 343 id=AB2144_x.cif size=1 isValid=true] [FAIRSpecXRAYData 344 id=AB2123_x.cif size=1 isValid=true] [FAIRSpecXRAYData 345 id=AB2141_x.cif size=1 isValid=true] [FAIRSpecXRAYData 346 id=AB2218_x.cif size=1 isValid=true] [FAIRSpecXRAYData 347 id=AB2121_x.cif size=1 isValid=true] [FAIRSpecXRAYData 348 id=AB2124_x.cif size=1 isValid=true] [FAIRSpecXRAYData 349 id=AB2149_x.cif size=1 isValid=true] [FAIRSpecXRAYData 350 id=AB2157_x.cif size=1 isValid=true] [FAIRSpecXRAYData 351 id=AB2143_x.cif size=1 isValid=true] [FAIRSpecXRAYData 352 id=AB2146_x.cif size=1 isValid=true] [FAIRSpecXRAYData 353 id=AB2130_x.cif size=1 isValid=true] [FAIRSpecXRAYData 354 id=AB2207_x.cif size=1 isValid=true] [FAIRSpecXRAYData 355 id=AB2210_x.cif size=1 isValid=true] [FAIRSpecXRAYData 356 id=AB2133b_x.cif size=1 isValid=true] [FAIRSpecXRAYData 357 id=AB2128_x.cif size=1 isValid=true] [FAIRSpecXRAYData 358 id=AB2208_x.cif size=1 isValid=true] [FAIRSpecXRAYData 359 id=AB2153_x.cif size=1 isValid=true] [FAIRSpecXRAYData 360 id=AB2246_x.cif size=1 isValid=true] [FAIRSpecXRAYData 361 id=AB2226_x.cif size=1 isValid=true] [FAIRSpecXRAYData 362 id=AB2212_x.cif size=1 isValid=true] [FAIRSpecXRAYData 363 id=AB2237_x.cif size=1 isValid=true] [FAIRSpecXRAYData 364 id=AB2241_x.cif size=1 isValid=true] [FAIRSpecXRAYData 365 id=AB2223_x.cif size=1 isValid=true] [FAIRSpecXRAYData 366 id=AB2151_x.cif size=1 isValid=true] [FAIRSpecXRAYData 367 id=AB2222_x.cif size=1 isValid=true] [FAIRSpecXRAYData 368 id=AB2202_x.cif size=1 isValid=true] [FAIRSpecXRAYData 369 id=AB2205_x.cif size=1 isValid=true] [FAIRSpecXRAYData 370 id=AB2301.cif size=1 isValid=true] [FAIRSpecXRAYData 371 id=LBTML2.cif size=1 isValid=true] [FAIRSpecXRAYData 372 id=AB2307.cif size=1 isValid=true] [FAIRSpecXRAYData 373 id=LB-UO2L4.cif size=1 isValid=true] ## 374 spectra [FAIRSpecCompoundAssociation 7 id=5 size=2 isValid=true [[0, 45], [3, 43, 44, 45, 46, 181, 182, 183, 184, 332]] ] [FAIRSpecCompoundAssociation 11 id=6 size=2 isValid=true [[1], [4, 47, 48, 49, 50, 51, 52, 53, 185, 186, 187, 188, 189, 190, 191]] ] [FAIRSpecCompoundAssociation 15 id=8 size=2 isValid=true [[2], [5, 54, 55, 56, 57, 58, 59, 192, 193, 194, 195, 196, 197]] ] [FAIRSpecCompoundAssociation 19 id=9 size=2 isValid=true [[3], [6, 60, 61, 62, 63, 64, 65, 66, 198, 199, 200, 201, 202, 203, 204]] ] [FAIRSpecCompoundAssociation 23 id=10 size=2 isValid=true [[4], [7, 67, 68, 69, 70, 71, 72, 73, 205, 206, 207, 208, 209, 210, 211]] ] [FAIRSpecCompoundAssociation 27 id=11 size=2 isValid=true [[5, 46], [8, 74, 75, 76, 77, 212, 213, 214, 215, 321, 333]] ] [FAIRSpecCompoundAssociation 31 id=12 size=2 isValid=true [[6, 47], [9, 78, 79, 80, 81, 216, 217, 218, 219, 322, 323, 334]] ] [FAIRSpecCompoundAssociation 35 id=14 size=2 isValid=true [[7, 48], [10, 82, 83, 84, 85, 220, 221, 222, 223, 324, 335]] ] [FAIRSpecCompoundAssociation 39 id=15 size=2 isValid=true [[8, 9, 49, 50], [11, 86, 87, 88, 224, 225, 316, 317, 336, 337]] ] [FAIRSpecCompoundAssociation 44 id=16 size=2 isValid=true [[10, 51], [12, 89, 90, 91, 92, 226, 227, 228, 229, 338]] ] [FAIRSpecCompoundAssociation 48 id=17 size=2 isValid=true [[11, 52], [13, 93, 94, 95, 96, 230, 231, 232, 233, 325, 339]] ] [FAIRSpecCompoundAssociation 52 id=18 size=2 isValid=true [[12, 53], [14, 97, 98, 99, 100, 234, 235, 236, 237, 326, 340]] ] [FAIRSpecCompoundAssociation 56 id=19 size=2 isValid=true [[13, 54], [15, 101, 102, 103, 104, 238, 239, 318, 319, 341]] ] [FAIRSpecCompoundAssociation 60 id=20 size=2 isValid=true [[14, 55], [16, 105, 106, 107, 108, 240, 241, 242, 243, 342]] ] [FAIRSpecCompoundAssociation 64 id=21 size=2 isValid=true [[15, 16, 56], [17, 109, 110, 111, 112, 244, 245, 246, 247, 327, 343]] ] [FAIRSpecCompoundAssociation 69 id=24 size=2 isValid=true [[17, 57], [18, 113, 114, 115, 116, 248, 249, 250, 251, 328, 344]] ] [FAIRSpecCompoundAssociation 73 id=25 size=2 isValid=true [[18, 58], [19, 117, 118, 119, 120, 252, 253, 254, 255, 329, 345]] ] [FAIRSpecCompoundAssociation 77 id=28 size=2 isValid=true [[19, 59], [20, 121, 122, 123, 124, 256, 257, 258, 259, 346]] ] [FAIRSpecCompoundAssociation 81 id=33 size=2 isValid=true [[20, 60], [21, 125, 126, 127, 128, 129, 130, 131, 132, 133, 260, 261, 262, 263, 264, 265, 266, 267, 268, 347]] ] [FAIRSpecCompoundAssociation 85 id=34 size=2 isValid=true [[21, 61], [22, 134, 135, 136, 137, 138, 139, 140, 141, 142, 269, 270, 271, 272, 273, 274, 275, 276, 277, 348]] ] [FAIRSpecCompoundAssociation 89 id=37 size=2 isValid=true [[22, 62], [23, 143, 144, 145, 146, 147, 278, 279, 280, 281, 282, 320, 349]] ] [FAIRSpecCompoundAssociation 93 id=38 size=2 isValid=true [[23, 63], [24, 148, 149, 150, 151, 152, 283, 284, 285, 286, 287, 350]] ] [FAIRSpecCompoundAssociation 97 id=39 size=2 isValid=true [[24, 64, 65], [25, 153, 154, 155, 156, 157, 288, 289, 290, 291, 292, 351, 352]] ] [FAIRSpecCompoundAssociation 101 id=40 size=2 isValid=true [[25, 66], [26, 158, 159, 160, 161, 162, 293, 294, 295, 296, 297, 353]] ] [FAIRSpecCompoundAssociation 105 id=42 size=2 isValid=true [[26, 67], [27, 354]] ] [FAIRSpecCompoundAssociation 109 id=46 size=2 isValid=true [[27, 68], [28, 355]] ] [FAIRSpecCompoundAssociation 113 id=49 size=2 isValid=true [[28, 69], [29, 163, 164, 165, 166, 298, 299, 300, 301, 330, 356]] ] [FAIRSpecCompoundAssociation 117 id=50 size=2 isValid=true [[29, 70], [30, 167, 168, 169, 170, 302, 303, 304, 305, 331, 357]] ] [FAIRSpecCompoundAssociation 121 id=53 size=2 isValid=true [[30, 71], [31, 358]] ] [FAIRSpecCompoundAssociation 125 id=54 size=2 isValid=true [[31, 72], [32, 359]] ] [FAIRSpecCompoundAssociation 129 id=55 size=2 isValid=true [[32, 73], [33, 360]] ] [FAIRSpecCompoundAssociation 133 id=56 size=2 isValid=true [[33, 74, 87, 88, 89], [0, 1, 2, 34, 361]] ] [FAIRSpecCompoundAssociation 137 id=57 size=2 isValid=true [[34, 75], [35, 362]] ] [FAIRSpecCompoundAssociation 141 id=58 size=2 isValid=true [[35, 76], [36, 363]] ] [FAIRSpecCompoundAssociation 145 id=60 size=2 isValid=true [[36, 77], [37, 364]] ] [FAIRSpecCompoundAssociation 149 id=61 size=2 isValid=true [[37, 78], [38, 171, 172, 173, 174, 175, 306, 307, 308, 309, 310, 365]] ] [FAIRSpecCompoundAssociation 153 id=62 size=2 isValid=true [[38, 79], [39, 176, 177, 178, 179, 180, 311, 312, 313, 314, 315, 366]] ] [FAIRSpecCompoundAssociation 157 id=65 size=2 isValid=true [[39, 80], [40, 367]] ] [FAIRSpecCompoundAssociation 161 id=66 size=2 isValid=true [[40, 81], [41, 368]] ] [FAIRSpecCompoundAssociation 165 id=70 size=2 isValid=true [[41, 82], [42, 369]] ] [FAIRSpecCompoundAssociation 169 id=73 size=2 isValid=true [[42, 83], [370]] ] [FAIRSpecCompoundAssociation 173 id=74 size=2 isValid=true [[43, 84], [371]] ] [FAIRSpecCompoundAssociation 177 id=76 size=2 isValid=true [[44, 86], [373]] ] [FAIRSpecCompoundAssociation 221 id=75 size=2 isValid=true [[85], [372]] ] ## 44 compounds !FAIRSpecExtractionHelper.dumpSummary version 0.0.4-alpha+2023.07.12 test 0: !Extractor.extractAndCreateFindingAid serializing... test 0: !Extractor serialization done 333 42467 228 ms 4491558 bytes test 0: !Extractor extracted 892 files (275985411 bytes); ignored 15 files (38850 bytes); rejected 188 files (5744238 bytes) test 0: Extractor.runExtraction ok c:/temp/iupac/henry/v_acs/IFD-extract.json test 0: !Extractor.runExtraction job c:/temp/iupac/henry/v_acs/IFD-extract.json time/sec=162.982 test 0: Extractor.runExtraction File c:\temp\iupac\henry\v_acs\icl-ifd\_IFD_findingaids.json created test 0: Extractor.runExtraction File c:\temp\iupac\henry\v_acs\icl-ifd\_IFD_findingaids.js created {"findingaids":[ "c:/temp/iupac/henry/v_acs/icl-ifd/v_acs/IFD.findingaid.json" ]} test 0: test 0: !Extractor.runExtraction flags first = -1 last = -1 stopOnAnyFailure = true debugging = false readOnly = false debugReadOnly = false allowNoPubInfo = false skipPubInfo = false skipPubInfo = false sourceArchive = null targetDir = null createZippedCollection = true createFindingAidJSONList = false IFD version 0.0.4-alpha+2023.07.12 test 0: !Extractor done total=1 failed=0 errors=0 warnings=37