Extractor.runExtraction output to c:\temp\iupac\stolaf\..\stolaf-ifd Extractor.runExtraction 0 c:/temp/iupac/stolaf/IFD-extract.json test 0: !Extractor ifdExtractScriptFIle= c:\temp\iupac\stolaf\IFD-extract.json localsourceArchive = null targetDir = c:\temp\iupac\stolaf\..\stolaf-ifd\stolaf test 0: !Extracting c:\temp\iupac\stolaf\IFD-extract.json test 0: 0.0.4-alpha+2202.11.28 test 0: !example = aggregation Bruker student data St. Olaf College 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_data_uri = ./ test 0: !FAIRSpec.extractor.options = test 0: !FAIRSpec.extractor.related_metadata = IFD_METADATA test 0: !FAIRSpec.extractor.object = {IFD.representation.dataobject.fairspec.nmr.vendor_dataset::{IFD.property.dataobject.id::*/*}/} test 0: !Extractor.ObjectParser pattern: ^(?(?[^|/]+\Q/\E[^|/]+)\Q/\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: 1 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 to c:\temp\iupac\stolaf\..\stolaf-ifd\stolaf test 0: !cleaning directory stolaf test 0: !retrieving file:/c:/temp/iupac/stolaf/ test 0: Phase 2.1 checking zip directory: 2 Jun15-20231/ test 0: Phase 2.1 checking zip directory: 3 Jun15-20231/1203110/ test 0: Phase 2.1 checking zip directory: 11 Jun15-20231/1203110/pdata/ test 0: Phase 2.1 checking zip directory: 12 Jun15-20231/1203110/pdata/1/ test 0: !rezip pattern found Jun15-20231/1203110/ [IFDRepresentation type=null ref=[IFDReference stolaf::Jun15-20231/1203110/ :as::Jun15-20231_1203110.zip]] test 0: Phase 2.1 checking zip directory: 40 Jun15-20231/1203310/ test 0: Phase 2.1 checking zip directory: 47 Jun15-20231/1203310/pdata/ test 0: Phase 2.1 checking zip directory: 48 Jun15-20231/1203310/pdata/1/ test 0: !rezip pattern found Jun15-20231/1203310/ [IFDRepresentation type=null ref=[IFDReference stolaf::Jun15-20231/1203310/ :as::Jun15-20231_1203310.zip]] test 0: Phase 2.1 checking zip directory: 74 Jun15-20232/ test 0: Phase 2.1 checking zip directory: 75 Jun15-20232/1203510/ test 0: Phase 2.1 checking zip directory: 82 Jun15-20232/1203510/pdata/ test 0: Phase 2.1 checking zip directory: 83 Jun15-20232/1203510/pdata/1/ test 0: !rezip pattern found Jun15-20232/1203510/ [IFDRepresentation type=null ref=[IFDReference stolaf::Jun15-20232/1203510/ :as::Jun15-20232_1203510.zip]] test 0: !Jmol The Resolver thinks Mol test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C1=CC(N(=O)=O)=CC=C1C(=O)OC JME 2015-12-06 Tue Jul 11 15:00:45 GMT-500 2023 test 0: !Jmol C1=CC(N(=O)=O)=CC=C1C(=O)OC 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 13 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 13 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: Phase 2.1 checking zip directory: 122 Jun15-20233/ test 0: Phase 2.1 checking zip directory: 123 Jun15-20233/1203410/ test 0: Phase 2.1 checking zip directory: 130 Jun15-20233/1203410/pdata/ test 0: Phase 2.1 checking zip directory: 131 Jun15-20233/1203410/pdata/1/ test 0: !rezip pattern found Jun15-20233/1203410/ [IFDRepresentation type=null ref=[IFDReference stolaf::Jun15-20233/1203410/ :as::Jun15-20233_1203410.zip]] test 0: !Jmol The Resolver thinks Mol test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C1=CC(C)=CC=C1NC(C)=O JME 2015-12-06 Tue Jul 11 15:06:23 GMT-500 2023 test 0: !Jmol C1=CC(C)=CC=C1NC(C)=O 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: 1 ms test 0: Phase 2.1 checking zip directory: 158 Jun15-20234/ test 0: Phase 2.1 checking zip directory: 159 Jun15-20234/1203610/ test 0: Phase 2.1 checking zip directory: 166 Jun15-20234/1203610/pdata/ test 0: Phase 2.1 checking zip directory: 167 Jun15-20234/1203610/pdata/1/ test 0: !rezip pattern found Jun15-20234/1203610/ [IFDRepresentation type=null ref=[IFDReference stolaf::Jun15-20234/1203610/ :as::Jun15-20234_1203610.zip]] test 0: !Jmol The Resolver thinks Mol test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C1=CC(N(=O)=O)=CC=C1C(=O)OC JME 2015-12-06 Tue Jul 11 14:59:18 GMT-500 2023 test 0: !Jmol C1=CC(N(=O)=O)=CC=C1C(=O)OC 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 13 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 13 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: 203 Jun15-20234/1203710/ test 0: Phase 2.1 checking zip directory: 212 Jun15-20234/1203710/pdata/ test 0: Phase 2.1 checking zip directory: 213 Jun15-20234/1203710/pdata/1/ test 0: !rezip pattern found Jun15-20234/1203710/ [IFDRepresentation type=null ref=[IFDReference stolaf::Jun15-20234/1203710/ :as::Jun15-20234_1203710.zip]] test 0: Phase 2.1 checking zip directory: 246 Jun15-20236/ test 0: Phase 2.1 checking zip directory: 247 Jun15-20236/1203010/ test 0: Phase 2.1 checking zip directory: 250 Jun15-20236/1203010/pdata/ test 0: Phase 2.1 checking zip directory: 251 Jun15-20236/1203010/pdata/1/ test 0: !rezip pattern found Jun15-20236/1203010/ [IFDRepresentation type=null ref=[IFDReference stolaf::Jun15-20236/1203010/ :as::Jun15-20236_1203010.zip]] test 0: Phase 2.1 checking zip directory: 256 Jun15-20236/1203210/ test 0: Phase 2.1 checking zip directory: 263 Jun15-20236/1203210/pdata/ test 0: Phase 2.1 checking zip directory: 264 Jun15-20236/1203210/pdata/1/ test 0: !rezip pattern found Jun15-20236/1203210/ [IFDRepresentation type=null ref=[IFDReference stolaf::Jun15-20236/1203210/ :as::Jun15-20236_1203210.zip]] test 0: !Jmol The Resolver thinks Mol test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C1=CC(C)=CC=C1NC(C)=O JME 2015-12-06 Tue Jul 11 15:07:41 GMT-500 2023 test 0: !Jmol C1=CC(C)=CC=C1NC(C)=O 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: 1 ms test 0: Phase 2.1 checking zip directory: 297 Jun20-20231/ test 0: Phase 2.1 checking zip directory: 298 Jun20-20231/1210610/ test 0: Phase 2.1 checking zip directory: 306 Jun20-20231/1210610/pdata/ test 0: Phase 2.1 checking zip directory: 307 Jun20-20231/1210610/pdata/1/ test 0: !rezip pattern found Jun20-20231/1210610/ [IFDRepresentation type=null ref=[IFDReference stolaf::Jun20-20231/1210610/ :as::Jun20-20231_1210610.zip]] test 0: !Jmol The Resolver thinks Mol test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol O(C1=CC=C(C(=O)O)C=C1)C JME 2015-12-06 Tue Jul 11 15:13:09 GMT-500 2023 test 0: !Jmol O(C1=CC=C(C(=O)O)C=C1)C 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: 334 Jun20-20232/ test 0: Phase 2.1 checking zip directory: 335 Jun20-20232/1210710/ test 0: Phase 2.1 checking zip directory: 343 Jun20-20232/1210710/pdata/ test 0: Phase 2.1 checking zip directory: 344 Jun20-20232/1210710/pdata/1/ test 0: !rezip pattern found Jun20-20232/1210710/ [IFDRepresentation type=null ref=[IFDReference stolaf::Jun20-20232/1210710/ :as::Jun20-20232_1210710.zip]] test 0: Phase 2.1 checking zip directory: 370 Jun20-20233/ test 0: Phase 2.1 checking zip directory: 371 Jun20-20233/1210510/ test 0: Phase 2.1 checking zip directory: 379 Jun20-20233/1210510/pdata/ test 0: Phase 2.1 checking zip directory: 380 Jun20-20233/1210510/pdata/1/ test 0: !rezip pattern found Jun20-20233/1210510/ [IFDRepresentation type=null ref=[IFDReference stolaf::Jun20-20233/1210510/ :as::Jun20-20233_1210510.zip]] test 0: Phase 2.1 checking zip directory: 406 Jun20-20236/ test 0: Phase 2.1 checking zip directory: 407 Jun20-20236/1210410/ test 0: Phase 2.1 checking zip directory: 416 Jun20-20236/1210410/pdata/ test 0: Phase 2.1 checking zip directory: 417 Jun20-20236/1210410/pdata/1/ test 0: !rezip pattern found Jun20-20236/1210410/ [IFDRepresentation type=null ref=[IFDReference stolaf::Jun20-20236/1210410/ :as::Jun20-20236_1210410.zip]] test 0: !Jmol The Resolver thinks Mol test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C1=CC(C)=CC=C1NC(C)=O JME 2015-12-06 Tue Jul 11 15:08:33 GMT-500 2023 test 0: !Jmol C1=CC(C)=CC=C1NC(C)=O 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: 1 ms test 0: Phase 2.1 checking zip directory: 446 Jun27-20235/ test 0: Phase 2.1 checking zip directory: 447 Jun27-20235/1226610/ test 0: Phase 2.1 checking zip directory: 454 Jun27-20235/1226610/pdata/ test 0: Phase 2.1 checking zip directory: 455 Jun27-20235/1226610/pdata/1/ test 0: !rezip pattern found Jun27-20235/1226610/ [IFDRepresentation type=null ref=[IFDReference stolaf::Jun27-20235/1226610/ :as::Jun27-20235_1226610.zip]] test 0: !Jmol The Resolver thinks Mol test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C1=CC(C=O)=CC=C1N(C)C JME 2015-12-06 Tue Jul 11 15:12:14 GMT-500 2023 test 0: !Jmol C1=CC(C=O)=CC=C1N(C)C 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: 1 ms test 0: Phase 2.1 checking zip directory: 488 Jun27-20235/1226810/ test 0: Phase 2.1 checking zip directory: 497 Jun27-20235/1226810/pdata/ test 0: Phase 2.1 checking zip directory: 498 Jun27-20235/1226810/pdata/1/ test 0: !rezip pattern found Jun27-20235/1226810/ [IFDRepresentation type=null ref=[IFDReference stolaf::Jun27-20235/1226810/ :as::Jun27-20235_1226810.zip]] test 0: !Jmol The Resolver thinks Mol test 0: !Jmol filtering with ;NO3D;NOHYDROGEN; test 0: !Jmol C1=CC(C=O)=CC=C1OC JME 2015-12-06 Tue Jul 11 14:50:23 GMT-500 2023 test 0: !Jmol C1=CC(C=O)=CC=C1OC 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 10 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 10 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 2b file:/c:/temp/iupac/stolaf/ {IFD.representation.dataobject.fairspec.nmr.vendor_dataset::{IFD.property.dataobject.id::*/*}/} test 0: !found IFD.property.dataobject.id Jun15-20231/1203110 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset Jun15-20231/1203110/ test 0: !found IFD.property.dataobject.id Jun15-20231/1203310 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset Jun15-20231/1203310/ test 0: !found IFD.property.dataobject.id Jun15-20232/1203510 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset Jun15-20232/1203510/ test 0: !found IFD.property.dataobject.id Jun15-20233/1203410 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset Jun15-20233/1203410/ test 0: !found IFD.property.dataobject.id Jun15-20234/1203610 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset Jun15-20234/1203610/ test 0: !found IFD.property.dataobject.id Jun15-20234/1203710 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset Jun15-20234/1203710/ test 0: !found IFD.property.dataobject.id Jun15-20236/1203010 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset Jun15-20236/1203010/ test 0: !found IFD.property.dataobject.id Jun15-20236/1203210 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset Jun15-20236/1203210/ test 0: !found IFD.property.dataobject.id Jun20-20231/1210610 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset Jun20-20231/1210610/ test 0: !found IFD.property.dataobject.id Jun20-20232/1210710 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset Jun20-20232/1210710/ test 0: !found IFD.property.dataobject.id Jun20-20233/1210510 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset Jun20-20233/1210510/ test 0: !found IFD.property.dataobject.id Jun20-20236/1210410 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset Jun20-20236/1210410/ test 0: !found IFD.property.dataobject.id Jun27-20235/1226610 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset Jun27-20235/1226610/ test 0: !found IFD.property.dataobject.id Jun27-20235/1226810 test 0: !found IFD.representation.dataobject.fairspec.nmr.vendor_dataset Jun27-20235/1226810/ test 0: !Phase 2b found 14 IFD objects test 0: Phase 2.3 checking zip directory: 2 Jun15-20231/ test 0: Phase 2.3 checking zip directory: 3 Jun15-20231/1203110/ test 0: !Extractor Phase 2c rezipping Jun15-20231/1203110/ as c:\temp\iupac\stolaf\..\stolaf-ifd\stolaf\stolaf\Jun15-20231_1203110.zip test 0: Jun15-20231_1203110.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: Jun15-20231_1203110.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: Jun15-20231_1203110.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: Jun15-20231_1203110.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.13 test 0: Jun15-20231_1203110.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=299.7999 test 0: Jun15-20231_1203110.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: Jun15-20231_1203110.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=PROTON test 0: Jun15-20231_1203110.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: Jun15-20231_1203110.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: Jun15-20231_1203110.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=Z116098_0655 (PA BBO 400S1 BBF-H-D-05 Z SP) test 0: Jun15-20231_1203110.zip addProperty IFD.property.dataobject.timestamp=2023-06-15T12:14-05:00 test 0: Jun15-20231_1203110.zip addProperty IFD.property.dataobject.originating_sample_id=A1-Ex.6a-230615 test 0: Jun15-20231_1203110.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2023-06-15T12:14:02-05:00 test 0: Jun15-20231_1203110.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: Jun15-20231_1203110.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=A1-Ex.6a-230615 Unknown 12 user: ab... team: chem-synthesis-a-team1 holder: 1 solvent: CDCl3 expt: PROTON NS=16;SW=20; standard 1H experiment () test 0: Phase 2.3 checking zip directory: 4 Jun15-20231/1203310/ test 0: !Extractor Phase 2c rezipping Jun15-20231/1203310/ as c:\temp\iupac\stolaf\..\stolaf-ifd\stolaf\stolaf\Jun15-20231_1203310.zip test 0: Jun15-20231_1203310.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: Jun15-20231_1203310.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: Jun15-20231_1203310.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: Jun15-20231_1203310.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.13 test 0: Jun15-20231_1203310.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=299.679 test 0: Jun15-20231_1203310.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: Jun15-20231_1203310.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=PROTON test 0: Jun15-20231_1203310.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: Jun15-20231_1203310.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: Jun15-20231_1203310.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=Z116098_0655 (PA BBO 400S1 BBF-H-D-05 Z SP) test 0: Jun15-20231_1203310.zip addProperty IFD.property.dataobject.timestamp=2023-06-15T12:27:36-05:00 test 0: Jun15-20231_1203310.zip addProperty IFD.property.dataobject.originating_sample_id=A1-Ex.6a-230615 test 0: Jun15-20231_1203310.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2023-06-15T12:27:37-05:00 test 0: Jun15-20231_1203310.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: Jun15-20231_1203310.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=A1-Ex.6a-230615 Unknown 12 user: ab... team: chem-synthesis-a-team1 holder: 1 solvent: CDCl3 expt: PROTON NS=16;SW=20; standard 1H experiment () test 0: Phase 2.3 checking zip directory: 5 Jun15-20232/ test 0: Phase 2.3 checking zip directory: 6 Jun15-20232/1203510/ test 0: !Extractor Phase 2c rezipping Jun15-20232/1203510/ as c:\temp\iupac\stolaf\..\stolaf-ifd\stolaf\stolaf\Jun15-20232.zip test 0: Jun15-20232.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: Jun15-20232.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: Jun15-20232.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: Jun15-20232.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.13 test 0: Jun15-20232.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=299.6068 test 0: Jun15-20232.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: Jun15-20232.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=PROTON test 0: Jun15-20232.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: Jun15-20232.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: Jun15-20232.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=Z116098_0655 (PA BBO 400S1 BBF-H-D-05 Z SP) test 0: Jun15-20232.zip addProperty IFD.property.dataobject.timestamp=2023-06-15T12:38:14-05:00 test 0: Jun15-20232.zip addProperty IFD.property.dataobject.originating_sample_id=A2-Ex.6a-230615 test 0: Jun15-20232.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2023-06-15T12:38:15-05:00 test 0: Jun15-20232.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: Jun15-20232.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=A2-Ex.6a-230615 Unknown 8 user: be... team: chem-synthesis-a-team2 holder: 2 solvent: CDCl3 expt: PROTON NS=16;SW=20; standard 1H experiment () test 0: Phase 2.3 checking zip directory: 7 Jun15-20233/ test 0: Phase 2.3 checking zip directory: 8 Jun15-20233/1203410/ test 0: !Extractor Phase 2c rezipping Jun15-20233/1203410/ as c:\temp\iupac\stolaf\..\stolaf-ifd\stolaf\stolaf\Jun15-20233.zip test 0: Jun15-20233.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: Jun15-20233.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: Jun15-20233.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: Jun15-20233.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.13 test 0: Jun15-20233.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=299.6439 test 0: Jun15-20233.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: Jun15-20233.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=PROTON test 0: Jun15-20233.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: Jun15-20233.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: Jun15-20233.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=Z116098_0655 (PA BBO 400S1 BBF-H-D-05 Z SP) test 0: Jun15-20233.zip addProperty IFD.property.dataobject.timestamp=2023-06-15T12:33:05-05:00 test 0: Jun15-20233.zip addProperty IFD.property.dataobject.originating_sample_id=A3-Ex.6a-230615 test 0: Jun15-20233.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2023-06-15T12:33:06-05:00 test 0: Jun15-20233.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: Jun15-20233.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=A3-Ex.6a-230615 A3-Unknown 4 user: ch... team: chem-synthesis-a-team3 holder: 3 solvent: CDCl3 expt: PROTON NS=16;SW=20; standard 1H experiment () test 0: Phase 2.3 checking zip directory: 9 Jun15-20234/ test 0: Phase 2.3 checking zip directory: 10 Jun15-20234/1203610/ test 0: !Extractor Phase 2c rezipping Jun15-20234/1203610/ as c:\temp\iupac\stolaf\..\stolaf-ifd\stolaf\stolaf\Jun15-20234_1203610.zip test 0: Jun15-20234_1203610.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: Jun15-20234_1203610.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: Jun15-20234_1203610.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: Jun15-20234_1203610.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.13 test 0: Jun15-20234_1203610.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=299.5726 test 0: Jun15-20234_1203610.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: Jun15-20234_1203610.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=PROTON test 0: Jun15-20234_1203610.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: Jun15-20234_1203610.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: Jun15-20234_1203610.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=Z116098_0655 (PA BBO 400S1 BBF-H-D-05 Z SP) test 0: Jun15-20234_1203610.zip addProperty IFD.property.dataobject.timestamp=2023-06-15T12:43:38-05:00 test 0: Jun15-20234_1203610.zip addProperty IFD.property.dataobject.originating_sample_id=A6-Ex.6-230615 test 0: Jun15-20234_1203610.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2023-06-15T12:43:40-05:00 test 0: Jun15-20234_1203610.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: Jun15-20234_1203610.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=A6-Ex.6-230615 Unknown N user: je... team: chem-synthesis-a-team4 holder: 4 solvent: CDCl3 expt: PROTON NS=16;SW=20; standard 1H experiment () test 0: Phase 2.3 checking zip directory: 11 Jun15-20234/1203710/ test 0: !Extractor Phase 2c rezipping Jun15-20234/1203710/ as c:\temp\iupac\stolaf\..\stolaf-ifd\stolaf\stolaf\Jun15-20234_1203710.zip test 0: Jun15-20234_1203710.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: Jun15-20234_1203710.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: Jun15-20234_1203710.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: Jun15-20234_1203710.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: Jun15-20234_1203710.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.612768526 test 0: Jun15-20234_1203710.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.13 test 0: Jun15-20234_1203710.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=300.1771 test 0: Jun15-20234_1203710.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: Jun15-20234_1203710.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=C13CPD32 test 0: Jun15-20234_1203710.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: Jun15-20234_1203710.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: Jun15-20234_1203710.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=Z116098_0655 (PA BBO 400S1 BBF-H-D-05 Z SP) test 0: Jun15-20234_1203710.zip addProperty IFD.property.dataobject.timestamp=2023-06-15T13:50:38-05:00 test 0: Jun15-20234_1203710.zip addProperty IFD.property.dataobject.originating_sample_id=A6-Ex.6-230615 test 0: Jun15-20234_1203710.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2023-06-15T13:50:42-05:00 test 0: Jun15-20234_1203710.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: Jun15-20234_1203710.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=A6-Ex.6-230615 Unknown N user: je... team: chem-synthesis-a-team4 holder: 4 solvent: CDCl3 expt: C13CPD32 NS=128;D1=2; standard C13 experiment (7 Min 25 Sec) test 0: Phase 2.3 checking zip directory: 12 Jun15-20236/ test 0: Phase 2.3 checking zip directory: 13 Jun15-20236/1203010/ test 0: !Extractor Phase 2c rezipping Jun15-20236/1203010/ as c:\temp\iupac\stolaf\..\stolaf-ifd\stolaf\stolaf\Jun15-20236_1203010.zip test 0: Jun15-20236_1203010.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: Jun15-20236_1203010.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: Jun15-20236_1203010.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.13 test 0: Jun15-20236_1203010.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=298.0 test 0: Jun15-20236_1203010.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: Jun15-20236_1203010.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: Jun15-20236_1203010.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: Jun15-20236_1203010.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: Jun15-20236_1203010.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=A6-_Ex6-_230615 Unknown J test 0: Phase 2.3 checking zip directory: 14 Jun15-20236/1203210/ test 0: !Extractor Phase 2c rezipping Jun15-20236/1203210/ as c:\temp\iupac\stolaf\..\stolaf-ifd\stolaf\stolaf\Jun15-20236_1203210.zip test 0: Jun15-20236_1203210.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: Jun15-20236_1203210.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: Jun15-20236_1203210.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: Jun15-20236_1203210.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.13 test 0: Jun15-20236_1203210.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=299.7272 test 0: Jun15-20236_1203210.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: Jun15-20236_1203210.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=PROTON test 0: Jun15-20236_1203210.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: Jun15-20236_1203210.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: Jun15-20236_1203210.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=Z116098_0655 (PA BBO 400S1 BBF-H-D-05 Z SP) test 0: Jun15-20236_1203210.zip addProperty IFD.property.dataobject.timestamp=2023-06-15T12:22:30-05:00 test 0: Jun15-20236_1203210.zip addProperty IFD.property.dataobject.originating_sample_id=A6-Ex6a-230615 test 0: Jun15-20236_1203210.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2023-06-15T12:22:31-05:00 test 0: Jun15-20236_1203210.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: Jun15-20236_1203210.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=A6-Ex6a-230615 Unknown J user: th... team: chem-synthesis-a-team6 holder: 6 solvent: CDCl3 expt: PROTON NS=16;SW=20; standard 1H experiment () test 0: Phase 2.3 checking zip directory: 15 Jun20-20231/ test 0: Phase 2.3 checking zip directory: 16 Jun20-20231/1210610/ test 0: !Extractor Phase 2c rezipping Jun20-20231/1210610/ as c:\temp\iupac\stolaf\..\stolaf-ifd\stolaf\stolaf\Jun20-20231.zip test 0: Jun20-20231.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: Jun20-20231.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: Jun20-20231.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: Jun20-20231.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: Jun20-20231.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.612768526 test 0: Jun20-20231.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.13 test 0: Jun20-20231.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=300.0781 test 0: Jun20-20231.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: Jun20-20231.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=C13CPD32 test 0: Jun20-20231.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: Jun20-20231.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: Jun20-20231.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=Z116098_0655 (PA BBO 400S1 BBF-H-D-05 Z SP) test 0: Jun20-20231.zip addProperty IFD.property.dataobject.timestamp=2023-06-20T09:40:41-05:00 test 0: Jun20-20231.zip addProperty IFD.property.dataobject.originating_sample_id=A1-Ex.6a-230620 test 0: Jun20-20231.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2023-06-20T09:40:42-05:00 test 0: Jun20-20231.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: Jun20-20231.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=A1-Ex.6a-230620 Unknown Carbon NMR user: ab... team: chem-synthesis-a-team1 holder: 1 solvent: CDCl3 expt: C13CPD32 NS=128;D1=2; standard C13 experiment () test 0: Phase 2.3 checking zip directory: 17 Jun20-20232/ test 0: Phase 2.3 checking zip directory: 18 Jun20-20232/1210710/ test 0: !Extractor Phase 2c rezipping Jun20-20232/1210710/ as c:\temp\iupac\stolaf\..\stolaf-ifd\stolaf\stolaf\Jun20-20232.zip test 0: Jun20-20232.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: Jun20-20232.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: Jun20-20232.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: Jun20-20232.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: Jun20-20232.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.612768526 test 0: Jun20-20232.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.13 test 0: Jun20-20232.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=300.0826 test 0: Jun20-20232.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: Jun20-20232.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=C13CPD32 test 0: Jun20-20232.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: Jun20-20232.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: Jun20-20232.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=Z116098_0655 (PA BBO 400S1 BBF-H-D-05 Z SP) test 0: Jun20-20232.zip addProperty IFD.property.dataobject.timestamp=2023-06-20T09:51:44-05:00 test 0: Jun20-20232.zip addProperty IFD.property.dataobject.originating_sample_id=A2-Ex.6a-230620 test 0: Jun20-20232.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2023-06-20T09:51:48-05:00 test 0: Jun20-20232.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: Jun20-20232.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=A2-Ex.6a-230620 Experiment 8 user: be... team: chem-synthesis-a-team2 holder: 2 solvent: CDCl3 expt: C13CPD32 NS=128;D1=2; standard C13 experiment () test 0: Phase 2.3 checking zip directory: 19 Jun20-20233/ test 0: Phase 2.3 checking zip directory: 20 Jun20-20233/1210510/ test 0: !Extractor Phase 2c rezipping Jun20-20233/1210510/ as c:\temp\iupac\stolaf\..\stolaf-ifd\stolaf\stolaf\Jun20-20233.zip test 0: Jun20-20233.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: Jun20-20233.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: Jun20-20233.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: Jun20-20233.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: Jun20-20233.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.612768526 test 0: Jun20-20233.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.13 test 0: Jun20-20233.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=300.067 test 0: Jun20-20233.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: Jun20-20233.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=C13CPD32 test 0: Jun20-20233.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: Jun20-20233.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: Jun20-20233.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=Z116098_0655 (PA BBO 400S1 BBF-H-D-05 Z SP) test 0: Jun20-20233.zip addProperty IFD.property.dataobject.timestamp=2023-06-20T09:29:19-05:00 test 0: Jun20-20233.zip addProperty IFD.property.dataobject.originating_sample_id=A3-Ex.6a-230615 test 0: Jun20-20233.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2023-06-20T09:29:19-05:00 test 0: Jun20-20233.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: Jun20-20233.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=A3-Ex.6a-230615 A3-Carbon13-Ex.6a user: ch... team: chem-synthesis-a-team3 holder: 3 solvent: CDCl3 expt: C13CPD32 NS=128;D1=2; standard C13 experiment () test 0: Phase 2.3 checking zip directory: 21 Jun20-20236/ test 0: Phase 2.3 checking zip directory: 22 Jun20-20236/1210410/ test 0: !Extractor Phase 2c rezipping Jun20-20236/1210410/ as c:\temp\iupac\stolaf\..\stolaf-ifd\stolaf\stolaf\Jun20-20236.zip test 0: Jun20-20236.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: Jun20-20236.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: Jun20-20236.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: Jun20-20236.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: Jun20-20236.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.612768526 test 0: Jun20-20236.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.13 test 0: Jun20-20236.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=300.0572 test 0: Jun20-20236.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: Jun20-20236.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=C13CPD32 test 0: Jun20-20236.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: Jun20-20236.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: Jun20-20236.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=Z116098_0655 (PA BBO 400S1 BBF-H-D-05 Z SP) test 0: Jun20-20236.zip addProperty IFD.property.dataobject.timestamp=2023-06-20T09:15:48-05:00 test 0: Jun20-20236.zip addProperty IFD.property.dataobject.originating_sample_id=A6-Exp6A-230615 test 0: Jun20-20236.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2023-06-20T09:15:52-05:00 test 0: Jun20-20236.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: Jun20-20236.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=A6-Exp6A-230615 Unknown J C-13 user: th... team: chem-synthesis-a-team6 holder: 6 solvent: CDCl3 expt: C13CPD32 NS=128;D1=2; standard C13 experiment () test 0: Phase 2.3 checking zip directory: 23 Jun27-20235/ test 0: Phase 2.3 checking zip directory: 24 Jun27-20235/1226610/ test 0: !Extractor Phase 2c rezipping Jun27-20235/1226610/ as c:\temp\iupac\stolaf\..\stolaf-ifd\stolaf\stolaf\Jun27-20235_1226610.zip test 0: Jun27-20235_1226610.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: Jun27-20235_1226610.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: Jun27-20235_1226610.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=1H test 0: Jun27-20235_1226610.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=400.13 test 0: Jun27-20235_1226610.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=299.6455 test 0: Jun27-20235_1226610.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zg30 test 0: Jun27-20235_1226610.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=PROTON test 0: Jun27-20235_1226610.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: Jun27-20235_1226610.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: Jun27-20235_1226610.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=Z116098_0655 (PA BBO 400S1 BBF-H-D-05 Z SP) test 0: Jun27-20235_1226610.zip addProperty IFD.property.dataobject.timestamp=2023-06-27T12:02:41-05:00 test 0: Jun27-20235_1226610.zip addProperty IFD.property.dataobject.originating_sample_id=A5-Ex.6A-230613 test 0: Jun27-20235_1226610.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2023-06-27T12:02:44-05:00 test 0: Jun27-20235_1226610.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: Jun27-20235_1226610.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=A5-Ex.6A-230613 unknown C user: sh... team: chem-synthesis-a-team5 holder: 5 solvent: CDCl3 expt: PROTON NS=16;SW=20; standard 1H experiment () test 0: Phase 2.3 checking zip directory: 25 Jun27-20235/1226810/ test 0: !Extractor Phase 2c rezipping Jun27-20235/1226810/ as c:\temp\iupac\stolaf\..\stolaf-ifd\stolaf\stolaf\Jun27-20235_1226810.zip test 0: Jun27-20235_1226810.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_manufacturer_name=Bruker test 0: Jun27-20235_1226810.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: Jun27-20235_1226810.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl1=13C test 0: Jun27-20235_1226810.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_nucl2=1H test 0: Jun27-20235_1226810.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq1=100.612768526 test 0: Jun27-20235_1226810.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_freq2=400.13 test 0: Jun27-20235_1226810.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_absolute_temperature=300.0892 test 0: Jun27-20235_1226810.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_pulse_program=zgpg30 test 0: Jun27-20235_1226810.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_id=C13CPD32 test 0: Jun27-20235_1226810.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_dimension=1D test 0: Jun27-20235_1226810.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_nominal_freq=400 test 0: Jun27-20235_1226810.zip addProperty IFD.property.dataobject.fairspec.nmr.instr_probe_type=Z116098_0655 (PA BBO 400S1 BBF-H-D-05 Z SP) test 0: Jun27-20235_1226810.zip addProperty IFD.property.dataobject.timestamp=2023-06-27T12:32-05:00 test 0: Jun27-20235_1226810.zip addProperty IFD.property.dataobject.originating_sample_id=A5-Ex.6A-230613 test 0: Jun27-20235_1226810.zip addProperty IFD.property.dataobject.fairspec.nmr.proc_timestamp=2023-06-27T12:32:04-05:00 test 0: Jun27-20235_1226810.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_solvent=CDCl3 test 0: Jun27-20235_1226810.zip addProperty IFD.property.dataobject.fairspec.nmr.expt_title=A5-Ex.6A-230613 unknown C - carbon 13 user: sh... team: chem-synthesis-a-team5 holder: 5 solvent: CDCl3 expt: C13CPD32 NS=128;D1=2; standard C13 experiment () test 0: !Structure [IFDStructure 19 id=Structure_1 size=1 isValid=true] created and associated with [FAIRSpecNMRData 5 id=Jun15-20232/1203510 size=1 isValid=true] test 0: !Structure [IFDStructure 23 id=Structure_2 size=1 isValid=true] created and associated with [FAIRSpecNMRData 6 id=Jun15-20233/1203410 size=1 isValid=true] test 0: !Structure [IFDStructure 19 id=Structure_1 size=5 isValid=true] found and associated with [FAIRSpecNMRData 7 id=Jun15-20234/1203610 size=1 isValid=true] test 0: !Structure [IFDStructure 23 id=Structure_2 size=5 isValid=true] found and associated with [FAIRSpecNMRData 10 id=Jun15-20236/1203210 size=1 isValid=true] test 0: !Structure [IFDStructure 27 id=Structure_3 size=1 isValid=true] created and associated with [FAIRSpecNMRData 11 id=Jun20-20231/1210610 size=1 isValid=true] test 0: !Structure [IFDStructure 23 id=Structure_2 size=5 isValid=true] found and associated with [FAIRSpecNMRData 14 id=Jun20-20236/1210410 size=1 isValid=true] test 0: !Structure [IFDStructure 31 id=Structure_4 size=1 isValid=true] created and associated with [FAIRSpecNMRData 15 id=Jun27-20235/1226610 size=1 isValid=true] test 0: !Structure [IFDStructure 35 id=Structure_5 size=1 isValid=true] created and associated with [FAIRSpecNMRData 16 id=Jun27-20235/1226810 size=1 isValid=true] test 0: !SpecData [FAIRSpecNMRData 39 id=Jun15-20231/1203110 size=1 isValid=true] added test 0: !SpecData [FAIRSpecNMRData 46 id=Jun15-20231/1203310 size=1 isValid=true] added test 0: !SpecData [FAIRSpecNMRData 60 id=Jun15-20234/1203710 size=1 isValid=true] added test 0: !SpecData [FAIRSpecNMRData 61 id=Jun15-20236/1203010 size=1 isValid=true] added test 0: !Phase 2d check for ignored files test 0: Phase 2.4 checking zip directory: 2 Jun15-20231/ test 0: Phase 2.4 checking zip directory: 3 Jun15-20231/1203110/ test 0: Phase 2.4 checking zip directory: 11 Jun15-20231/1203110/pdata/ test 0: Phase 2.4 checking zip directory: 12 Jun15-20231/1203110/pdata/1/ test 0: Phase 2.4 checking zip directory: 40 Jun15-20231/1203310/ test 0: Phase 2.4 checking zip directory: 47 Jun15-20231/1203310/pdata/ test 0: Phase 2.4 checking zip directory: 48 Jun15-20231/1203310/pdata/1/ test 0: Phase 2.4 checking zip directory: 74 Jun15-20232/ test 0: Phase 2.4 checking zip directory: 75 Jun15-20232/1203510/ test 0: Phase 2.4 checking zip directory: 82 Jun15-20232/1203510/pdata/ test 0: Phase 2.4 checking zip directory: 83 Jun15-20232/1203510/pdata/1/ test 0: Phase 2.4 checking zip directory: 122 Jun15-20233/ test 0: Phase 2.4 checking zip directory: 123 Jun15-20233/1203410/ test 0: Phase 2.4 checking zip directory: 130 Jun15-20233/1203410/pdata/ test 0: Phase 2.4 checking zip directory: 131 Jun15-20233/1203410/pdata/1/ test 0: Phase 2.4 checking zip directory: 158 Jun15-20234/ test 0: Phase 2.4 checking zip directory: 159 Jun15-20234/1203610/ test 0: Phase 2.4 checking zip directory: 166 Jun15-20234/1203610/pdata/ test 0: Phase 2.4 checking zip directory: 167 Jun15-20234/1203610/pdata/1/ test 0: Phase 2.4 checking zip directory: 203 Jun15-20234/1203710/ test 0: Phase 2.4 checking zip directory: 212 Jun15-20234/1203710/pdata/ test 0: Phase 2.4 checking zip directory: 213 Jun15-20234/1203710/pdata/1/ test 0: Phase 2.4 checking zip directory: 246 Jun15-20236/ test 0: Phase 2.4 checking zip directory: 247 Jun15-20236/1203010/ test 0: Phase 2.4 checking zip directory: 250 Jun15-20236/1203010/pdata/ test 0: Phase 2.4 checking zip directory: 251 Jun15-20236/1203010/pdata/1/ test 0: Phase 2.4 checking zip directory: 256 Jun15-20236/1203210/ test 0: Phase 2.4 checking zip directory: 263 Jun15-20236/1203210/pdata/ test 0: Phase 2.4 checking zip directory: 264 Jun15-20236/1203210/pdata/1/ test 0: Phase 2.4 checking zip directory: 297 Jun20-20231/ test 0: Phase 2.4 checking zip directory: 298 Jun20-20231/1210610/ test 0: Phase 2.4 checking zip directory: 306 Jun20-20231/1210610/pdata/ test 0: Phase 2.4 checking zip directory: 307 Jun20-20231/1210610/pdata/1/ test 0: Phase 2.4 checking zip directory: 334 Jun20-20232/ test 0: Phase 2.4 checking zip directory: 335 Jun20-20232/1210710/ test 0: Phase 2.4 checking zip directory: 343 Jun20-20232/1210710/pdata/ test 0: Phase 2.4 checking zip directory: 344 Jun20-20232/1210710/pdata/1/ test 0: Phase 2.4 checking zip directory: 370 Jun20-20233/ test 0: Phase 2.4 checking zip directory: 371 Jun20-20233/1210510/ test 0: Phase 2.4 checking zip directory: 379 Jun20-20233/1210510/pdata/ test 0: Phase 2.4 checking zip directory: 380 Jun20-20233/1210510/pdata/1/ test 0: Phase 2.4 checking zip directory: 406 Jun20-20236/ test 0: Phase 2.4 checking zip directory: 407 Jun20-20236/1210410/ test 0: Phase 2.4 checking zip directory: 416 Jun20-20236/1210410/pdata/ test 0: Phase 2.4 checking zip directory: 417 Jun20-20236/1210410/pdata/1/ test 0: Phase 2.4 checking zip directory: 446 Jun27-20235/ test 0: Phase 2.4 checking zip directory: 447 Jun27-20235/1226610/ test 0: Phase 2.4 checking zip directory: 454 Jun27-20235/1226610/pdata/ test 0: Phase 2.4 checking zip directory: 455 Jun27-20235/1226610/pdata/1/ test 0: Phase 2.4 checking zip directory: 488 Jun27-20235/1226810/ test 0: Phase 2.4 checking zip directory: 497 Jun27-20235/1226810/pdata/ test 0: Phase 2.4 checking zip directory: 498 Jun27-20235/1226810/pdata/1/ test 0: !saved c:\temp\iupac\stolaf\..\stolaf-ifd\stolaf\_IFD_manifest.json (75 items) test 0: !saved c:\temp\iupac\stolaf\..\stolaf-ifd\stolaf\_IFD_ignored.json (1 items) test 0: !FAIRSpecExtractionHelper.dumpSummary extraction complete: ! [[Resource 1: ./ len 0]] ! [IFDSample 0 id=A1-Ex.6a-230615 size=0 isValid=true] [IFDSample 1 id=A2-Ex.6a-230615 size=0 isValid=true] [IFDSample 2 id=A3-Ex.6a-230615 size=0 isValid=true] [IFDSample 3 id=A6-Ex.6-230615 size=0 isValid=true] [IFDSample 4 id=A6-Ex6a-230615 size=0 isValid=true] [IFDSample 5 id=A1-Ex.6a-230620 size=0 isValid=true] [IFDSample 6 id=A2-Ex.6a-230620 size=0 isValid=true] [IFDSample 7 id=A6-Exp6A-230615 size=0 isValid=true] [IFDSample 8 id=A5-Ex.6A-230613 size=0 isValid=true] ## 9 samples [IFDStructure 0 id=Structure_1 size=5 isValid=true] [IFDStructure 1 id=Structure_2 size=5 isValid=true] [IFDStructure 2 id=Structure_3 size=5 isValid=true] [IFDStructure 3 id=Structure_4 size=5 isValid=true] [IFDStructure 4 id=Structure_5 size=5 isValid=true] ## 5 structures [FAIRSpecNMRData 0 id=Jun15-20232/1203510 size=6 isValid=true] [FAIRSpecNMRData 1 id=Jun15-20233/1203410 size=3 isValid=true] [FAIRSpecNMRData 2 id=Jun20-20231/1210610 size=3 isValid=true] [FAIRSpecNMRData 3 id=Jun20-20232/1210710 size=3 isValid=true] [FAIRSpecNMRData 4 id=Jun20-20233/1210510 size=3 isValid=true] [FAIRSpecNMRData 5 id=Jun20-20236/1210410 size=3 isValid=true] [FAIRSpecNMRData 6 id=Jun15-20231/1203110 size=3 isValid=true] [FAIRSpecNMRData 7 id=Jun15-20231/1203310 size=3 isValid=true] [FAIRSpecNMRData 8 id=Jun15-20234/1203610 size=4 isValid=true] [FAIRSpecNMRData 9 id=Jun15-20234/1203710 size=4 isValid=true] [FAIRSpecNMRData 10 id=Jun15-20236/1203010 size=1 isValid=true] [FAIRSpecNMRData 11 id=Jun15-20236/1203210 size=3 isValid=true] [FAIRSpecNMRData 12 id=Jun27-20235/1226610 size=3 isValid=true] [FAIRSpecNMRData 13 id=Jun27-20235/1226810 size=2 isValid=true] ## 14 spectra [IFDSampleDataAssociation 45 id=null size=2 isValid=true [[0], [6, 7]] ] [IFDSampleDataAssociation 50 id=null size=2 isValid=true [[1], [0]] ] [IFDSampleDataAssociation 54 id=null size=2 isValid=true [[2], [1, 4]] ] [IFDSampleDataAssociation 59 id=null size=2 isValid=true [[3], [8, 9]] ] [IFDSampleDataAssociation 66 id=null size=2 isValid=true [[4], [11]] ] [IFDSampleDataAssociation 70 id=null size=2 isValid=true [[5], [2]] ] [IFDSampleDataAssociation 74 id=null size=2 isValid=true [[6], [3]] ] [IFDSampleDataAssociation 78 id=null size=2 isValid=true [[7], [5]] ] [IFDSampleDataAssociation 83 id=null size=2 isValid=true [[8], [12, 13]] ] ## 9 sample-spectra associations [FAIRSpecCompoundAssociation 22 id=null size=2 isValid=true [[0], [0, 8]] ] [FAIRSpecCompoundAssociation 26 id=null size=2 isValid=true [[1], [1, 5, 11]] ] [FAIRSpecCompoundAssociation 30 id=null size=2 isValid=true [[2], [2]] ] [FAIRSpecCompoundAssociation 34 id=null size=2 isValid=true [[3], [12]] ] [FAIRSpecCompoundAssociation 38 id=null size=2 isValid=true [[4], [13]] ] ## 5 compounds !FAIRSpecExtractionHelper.dumpSummary version 0.0.4-alpha+2023.07.12 test 0: !Extractor.extractAndCreateFindingAid serializing... test 0: !Extractor serialization done 19 1558 17 ms 127584 bytes test 0: !Extractor extracted 75 files (11478937 bytes); ignored 1 files (1043 bytes); rejected 0 files (0 bytes) test 0: Extractor.runExtraction ok c:/temp/iupac/stolaf/IFD-extract.json test 0: !Extractor.runExtraction job c:/temp/iupac/stolaf/IFD-extract.json time/sec=5.088 test 0: Extractor.runExtraction File c:\temp\iupac\stolaf\..\stolaf-ifd\_IFD_findingaids.json created {"findingaids":[ "c:/temp/iupac/stolaf/IFD-extract.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=0