Zirconium Tetrachloride
Everything that changed this flow. Back to the flow
5ca48cdf-e796-4c6c-937e-949b4a6d55ab
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, dedupe_altlabels | Deduplicated altLabel values and removed entries matching prefLabel |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| cas_match_labels | 1 | consensus_match | group_key=zirconiumtetrachloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'10026-11-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5b19ed82e8bddfbc: {'10026-11-6': '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 |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['10026-11-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_77566']; candidate_pubchem_cids=[4173, 24817, 9856075, 23618888]; selected_pubchem_cids=[24817]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 11,897 | bootstrap_labels | prefLabel | — | [{"@value":"zirconium tetrachloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Bootstrapped prefLabel from legacy name field |
| 11,898 | bootstrap_labels | name | zirconium tetrachloride | — | Purged legacy name field to enforce prefLabel usage |
| 11,899 | bootstrap_labels | synonyms | ["inorganic","zirconiumtetrachloride"] | [] | Removed legacy synonyms field in favor of structured labels |
| 104,776 | 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 |
| 104,777 | 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 |
| 217,282 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,852 | normalize_name_case | prefLabel | [{"@value":"zirconium tetrachloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | [{"@value":"Zirconium Tetrachloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,494 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl4Zr"],"a… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 238,495 | enrich_references | skos_definition | — | [{"@value":"A zirconium coordination entity comprising four chlorine atoms bound to a central zirconium atom.","@langua… | Merged ChEBI/PubChem definitions into skos:definition |
| 238,496 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.030.041","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['10026-11-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_77566']; candidate_pubchem_cids=[4173, 24817, 9856075, 23618888]; selected_pubchem_cids=[24817]; 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 |
| 251,566 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl4Zr"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl4Zr"],"a… | rdkit_pre_consensus from 'Cl[Zr](Cl)(Cl)Cl'; added: monoisotopic_mass |
| 256,023 | chebi_altlabels | altLabel | [] | [{"@value":"Tetrachlorozirconium","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | Added 5 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 273,374 | consensus_match | altLabel | [{"@value":"Tetrachlorozirconium","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"Tetrachlorozirconium","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | group_key=zirconiumtetrachloride||dimension=Environmental > media=Water > water_body=Unknown; cas=10026-11-6; added Common Chemistry CAS names as altLabel: Orgatix ZB 126, Zirconium chloride (Zr<sub>2</sub>Cl<sub>8</sub>), Zirconium chloride (ZrCl<sub>4</sub>), Zirconium chloride (ZrCl<sub>4</sub>), (<em>T</em>-4)-; object_uuid=fo-5b19ed82e8bddfbc |
| 273,375 | consensus_match | cas_match_labels | — | {"10026-11-6":"exactMatch"} | group_key=zirconiumtetrachloride||dimension=Environmental > media=Water > water_body=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'10026-11-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-5b19ed82e8bddfbc: {'10026-11-6': 'exactMatch'} |
| 276,749 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl4Zr"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl4Zr"],"a… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Zirconium Tetrachloride' |
| 283,383 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl4Zr"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl4Zr"],"a… | rdkit_post_consensus from '[Cl-].[Cl-].[Cl-].[Cl-].[Zr+4]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 292,603 | dedupe_altlabels | altLabel | [{"@value":"Tetrachlorozirconium","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | [{"@value":"Tetrachlorozirconium","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttribute… | Deduplicated altLabel values and removed entries matching prefLabel |
| 333,385 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/5ca48cdf-e796-… | associations resolved on the elementary layer |
| 391,105 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl4Zr"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl4Zr"],"a… | typed the way the ontology types it |
| 398,999 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260821T1302361922970000/11897 | prefLabel | ef:agent/bootstrap_labels | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v0 | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v1 |
| ef:activity/change/20260821T1302361922970000/11898 | name | ef:agent/bootstrap_labels | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v1 | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v2 |
| ef:activity/change/20260821T1302361922970000/11899 | synonyms | ef:agent/bootstrap_labels | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v2 | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v3 |
| ef:activity/change/20260821T1302361922970000/104776 | context | ef:agent/default_context_mapping | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v3 | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v4 |
| ef:activity/change/20260821T1302361922970000/104777 | context_iri | ef:agent/default_context_mapping | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v4 | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v5 |
| ef:activity/change/20260821T1302361922970000/217282 | unit_iri | ef:agent/unit_normalization | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v5 | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v6 |
| ef:activity/change/20260821T1302361922970000/223852 | prefLabel | ef:agent/normalize_name_case | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v6 | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v7 |
| ef:activity/change/20260821T1302361922970000/238494 | properties | ef:agent/enrich_references | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v7 | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v8 |
| ef:activity/change/20260821T1302361922970000/238495 | skos_definition | ef:agent/enrich_references | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v8 | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v9 |
| ef:activity/change/20260821T1302361922970000/238496 | references | ef:agent/enrich_references | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v9 | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v10 |
| ef:activity/change/20260821T1302361922970000/251566 | properties | ef:agent/rdkit_pre_consensus | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v10 | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v11 |
| ef:activity/change/20260821T1302361922970000/256023 | altLabel | ef:agent/chebi_altlabels | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v11 | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v12 |
| ef:activity/change/20260821T1302361922970000/273374 | altLabel | ef:agent/consensus_match | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v12 | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v13 |
| ef:activity/change/20260821T1302361922970000/273375 | cas_match_labels | ef:agent/consensus_match | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v13 | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v14 |
| ef:activity/change/20260821T1302361922970000/276749 | properties | ef:agent/opsin_iupac | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v14 | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v15 |
| ef:activity/change/20260821T1302361922970000/283383 | properties | ef:agent/rdkit_post_consensus | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v15 | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v16 |
| ef:activity/change/20260821T1302361922970000/292603 | altLabel | ef:agent/dedupe_altlabels | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v16 | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v17 |
| ef:activity/change/20260821T1302361922970000/333385 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v17 | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v18 |
| ef:activity/change/20260821T1302361922970000/391105 | properties | ef:agent/normalise_property_values | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v18 | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v19 |
| ef:activity/change/20260821T1302361922970000/398999 | types | ef:agent/link_flows_to_their_substance | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v19 | ef:flow/5ca48cdf-e796-4c6c-937e-949b4a6d55ab/v20 |