1h-pyrazole
Everything that changed this flow. Back to the flow
a8bd2ca9-fc8d-4498-a698-a728deab17c5
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 45410' (registry code) |
| cas_match_labels | 1 | consensus_match | group_key=1h-pyrazole||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'288-13-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-92b575a87a6238a5: {'288-13-1': 'exactMatch'} |
| concept_associations | 1 | carry_associations_onto_flows | associations resolved on the elementary layer |
| context | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['288-13-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_17241']; candidate_pubchem_cids=[1048, 1256578]; selected_pubchem_cids=[1048]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| skos_definition | 1 | enrich_references | Merged ChEBI/PubChem definitions into skos:definition |
| synonyms | 1 | bootstrap_labels | Removed legacy synonyms field in favor of structured labels |
| types | 1 | link_flows_to_their_substance | the substance's answer, copied onto its flow |
| unit_iri | 1 | unit_normalization | Unit IRI set from normalization of 'kg' |
Where several steps wrote one field, the last one won — and the log below shows the sequence.
Changes
19| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 680 | bootstrap_labels | prefLabel | — | [{"@value":"1h-pyrazole","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"co… | Bootstrapped prefLabel from legacy name field |
| 681 | bootstrap_labels | name | 1h-pyrazole | — | Purged legacy name field to enforce prefLabel usage |
| 682 | bootstrap_labels | synonyms | ["organic","pyrazole"] | [] | Removed legacy synonyms field in favor of structured labels |
| 150,176 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 150,177 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 213,567 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 227,823 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H4N2"],"… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 227,824 | enrich_references | skos_definition | — | [{"@value":"The 1H-tautomer of pyrazole.","@language":"en","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi… | Merged ChEBI/PubChem definitions into skos:definition |
| 227,825 | enrich_references | references | [] | [{"@id":"gmelin:1360","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"conse… | Added references with provenance; cas_numbers=['288-13-1']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_17241']; candidate_pubchem_cids=[1048, 1256578]; selected_pubchem_cids=[1048]; formula_similarity_expected=[]; pubchem_selection_rule=curated_cas_then_formula_similarity_then_prefer_chebi_aligned_when_unambiguous_else_keep_all_cas_matches; single_cas_commonchem_link=yes |
| 248,500 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H4N2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H4N2"],"… | rdkit_pre_consensus from 'C1=CNN=C1'; added: monoisotopic_mass |
| 254,472 | chebi_altlabels | altLabel | [] | [{"@value":"1,2-Diazole","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | Added 6 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 259,419 | consensus_match | altLabel | [{"@value":"1,2-Diazole","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | [{"@value":"1,2-Diazole","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | group_key=1h-pyrazole||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=288-13-1; added Common Chemistry CAS names as altLabel: 2-Azapyrrole, NSC 45410; object_uuid=fo-92b575a87a6238a5 |
| 259,420 | consensus_match | cas_match_labels | — | {"288-13-1":"exactMatch"} | group_key=1h-pyrazole||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'288-13-1': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-92b575a87a6238a5: {'288-13-1': 'exactMatch'} |
| 273,641 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H4N2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H4N2"],"… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1h-pyrazole' |
| 280,005 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H4N2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H4N2"],"… | rdkit_post_consensus from 'c1cn[nH]c1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,405 | strip_catalogue_altlabels | altLabel | [{"@value":"1,2-Diazole","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | [{"@value":"1,2-Diazole","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"con… | Removed 1 catalogue altLabel value(s): 'NSC 45410' (registry code) |
| 356,130 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/a8bd2ca9-fc8d-… | associations resolved on the elementary layer |
| 387,918 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H4N2"],"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H4N2"],"… | typed the way the ontology types it |
| 394,457 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
19 activitiesOne activity per change: which version of the flow it consumed, and which it produced. The values are on the change with the same number — stored once, not twice.
| Activity | Field | Agent | Used | Generated |
|---|---|---|---|---|
| ef:activity/change/20260820T0738569779880000/680 | prefLabel | ef:agent/bootstrap_labels | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v0 | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v1 |
| ef:activity/change/20260820T0738569779880000/681 | name | ef:agent/bootstrap_labels | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v1 | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v2 |
| ef:activity/change/20260820T0738569779880000/682 | synonyms | ef:agent/bootstrap_labels | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v2 | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v3 |
| ef:activity/change/20260820T0738569779880000/150176 | context | ef:agent/default_context_mapping | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v3 | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v4 |
| ef:activity/change/20260820T0738569779880000/150177 | context_iri | ef:agent/default_context_mapping | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v4 | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v5 |
| ef:activity/change/20260820T0738569779880000/213567 | unit_iri | ef:agent/unit_normalization | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v5 | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v6 |
| ef:activity/change/20260820T0738569779880000/227823 | properties | ef:agent/enrich_references | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v6 | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v7 |
| ef:activity/change/20260820T0738569779880000/227824 | skos_definition | ef:agent/enrich_references | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v7 | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v8 |
| ef:activity/change/20260820T0738569779880000/227825 | references | ef:agent/enrich_references | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v8 | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v9 |
| ef:activity/change/20260820T0738569779880000/248500 | properties | ef:agent/rdkit_pre_consensus | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v9 | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v10 |
| ef:activity/change/20260820T0738569779880000/254472 | altLabel | ef:agent/chebi_altlabels | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v10 | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v11 |
| ef:activity/change/20260820T0738569779880000/259419 | altLabel | ef:agent/consensus_match | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v11 | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v12 |
| ef:activity/change/20260820T0738569779880000/259420 | cas_match_labels | ef:agent/consensus_match | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v12 | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v13 |
| ef:activity/change/20260820T0738569779880000/273641 | properties | ef:agent/opsin_iupac | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v13 | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v14 |
| ef:activity/change/20260820T0738569779880000/280005 | properties | ef:agent/rdkit_post_consensus | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v14 | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v15 |
| ef:activity/change/20260820T0738569779880000/287405 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v15 | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v16 |
| ef:activity/change/20260820T0738569779880000/356130 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v16 | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v17 |
| ef:activity/change/20260820T0738569779880000/387918 | properties | ef:agent/normalise_property_values | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v17 | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v18 |
| ef:activity/change/20260820T0738569779880000/394457 | types | ef:agent/link_flows_to_their_substance | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v18 | ef:flow/a8bd2ca9-fc8d-4498-a698-a728deab17c5/v19 |