Dichloro(oxo)zirconium
Everything that changed this flow. Back to the flow
0d655c0f-4d08-4205-b354-353e8727fcbf
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | typed the way the ontology types it |
| altLabel | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'NSC 115914' (registry code), 'ZC 126' (grade code) |
| 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=dichloro(oxo)zirconium||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'7699-43-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e029564106c11640: {'7699-43-6': '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 air > Emissions to non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['7699-43-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_53479']; candidate_pubchem_cids=[24373, 24817, 97187, 9856075, 10154296, 23112603, 25199610, 101292325, 173000778, 173510755]; selected_pubchem_cids=[24373]; 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 |
|---|---|---|---|---|---|
| 11,511 | bootstrap_labels | prefLabel | — | [{"@value":"dichloro(oxo)zirconium","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Bootstrapped prefLabel from legacy name field |
| 11,512 | bootstrap_labels | name | dichloro(oxo)zirconium | — | Purged legacy name field to enforce prefLabel usage |
| 11,513 | bootstrap_labels | synonyms | ["inorganic","zirconiumdichlorideoxide","zirconiumoxychloride","zirconylchloride","zircross141"] | [] | Removed legacy synonyms field in favor of structured labels |
| 44,360 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 44,361 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 217,156 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,777 | normalize_name_case | prefLabel | [{"@value":"dichloro(oxo)zirconium","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | [{"@value":"Dichloro(oxo)zirconium","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 238,132 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl2H2OZr",… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 238,133 | enrich_references | skos_definition | — | [{"@value":"A zirconium coordination entity consisting of zirconium(IV) bound to oxygen via a double bond and to two ch… | Merged ChEBI/PubChem definitions into skos:definition |
| 238,134 | enrich_references | references | [] | [{"@id":"gmelin:1041792","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"co… | Added references with provenance; cas_numbers=['7699-43-6']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_53479']; candidate_pubchem_cids=[24373, 24817, 97187, 9856075, 10154296, 23112603, 25199610, 101292325, 173000778, 173510755]; selected_pubchem_cids=[24373]; 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 |
| 251,463 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl2H2OZr",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl2H2OZr",… | rdkit_pre_consensus from 'O=[Zr].Cl.Cl'; added: molecular_formula, molecular_mass, monoisotopic_mass |
| 255,977 | chebi_altlabels | altLabel | [] | [{"@value":"Chlorozirconyl","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | Added 8 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 265,806 | consensus_match | altLabel | [{"@value":"Chlorozirconyl","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | [{"@value":"Chlorozirconyl","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | group_key=dichloro(oxo)zirconium||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=7699-43-6; added Common Chemistry CAS names as altLabel: Basic zirconium chloride, NSC 115914, Orgatix ZC 126, Oxozirconium(IV) chloride, ZC, ZC 126, Zirconium chloride oxide (ZrCl<sub>2</sub>O), Zirconium chloride oxide (ZrOCl<sub>2</sub>), Zirconium chloride, basic, Zirconium dichloride monoxide, Zirconium dichloride oxide (ZrCl<sub>2</sub>O), Zirconium oxide chloride (ZrOCl<sub>2</sub>), Zirconium oxide dichloride, Zirconium oxychloride (ZrOCl<sub>2</sub>), Zirconium(IV) oxychloride, Zirconium, dichlorooxo-, Zirconyl chloride, Zirconyl chloride (ZrOCl<sub>2</sub>), Zirconyl dichloride, Zircosol ZC, Zircosol ZC 20; object_uuid=fo-e029564106c11640 |
| 265,807 | consensus_match | cas_match_labels | — | {"7699-43-6":"exactMatch"} | group_key=dichloro(oxo)zirconium||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'7699-43-6': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-e029564106c11640: {'7699-43-6': 'exactMatch'} |
| 283,268 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl2H2OZr",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl2H2OZr",… | rdkit_post_consensus from 'O=[Zr].Cl.Cl'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 286,967 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl2H2OZr",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl2H2OZr",… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 289,631 | strip_catalogue_altlabels | altLabel | [{"@value":"Chlorozirconyl","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | [{"@value":"Chlorozirconyl","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"… | Removed 2 catalogue altLabel value(s): 'NSC 115914' (registry code), 'ZC 126' (grade code) |
| 303,206 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0d655c0f-4d08-… | associations resolved on the elementary layer |
| 390,998 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl2H2OZr",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl2H2OZr",… | typed the way the ontology types it |
| 398,855 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/MolecularComplex"] | 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/20260822T0600486828500000/11511 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v0 | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v1 |
| ef:activity/change/20260822T0600486828500000/11512 | name | ef:agent/bootstrap_labels | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v1 | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v2 |
| ef:activity/change/20260822T0600486828500000/11513 | synonyms | ef:agent/bootstrap_labels | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v2 | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v3 |
| ef:activity/change/20260822T0600486828500000/44360 | context | ef:agent/default_context_mapping | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v3 | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v4 |
| ef:activity/change/20260822T0600486828500000/44361 | context_iri | ef:agent/default_context_mapping | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v4 | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v5 |
| ef:activity/change/20260822T0600486828500000/217156 | unit_iri | ef:agent/unit_normalization | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v5 | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v6 |
| ef:activity/change/20260822T0600486828500000/223777 | prefLabel | ef:agent/normalize_name_case | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v6 | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v7 |
| ef:activity/change/20260822T0600486828500000/238132 | properties | ef:agent/enrich_references | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v7 | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v8 |
| ef:activity/change/20260822T0600486828500000/238133 | skos_definition | ef:agent/enrich_references | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v8 | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v9 |
| ef:activity/change/20260822T0600486828500000/238134 | references | ef:agent/enrich_references | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v9 | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v10 |
| ef:activity/change/20260822T0600486828500000/251463 | properties | ef:agent/rdkit_pre_consensus | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v10 | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v11 |
| ef:activity/change/20260822T0600486828500000/255977 | altLabel | ef:agent/chebi_altlabels | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v11 | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v12 |
| ef:activity/change/20260822T0600486828500000/265806 | altLabel | ef:agent/consensus_match | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v12 | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v13 |
| ef:activity/change/20260822T0600486828500000/265807 | cas_match_labels | ef:agent/consensus_match | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v13 | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v14 |
| ef:activity/change/20260822T0600486828500000/283268 | properties | ef:agent/rdkit_post_consensus | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v14 | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v15 |
| ef:activity/change/20260822T0600486828500000/286967 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v15 | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v16 |
| ef:activity/change/20260822T0600486828500000/289631 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v16 | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v17 |
| ef:activity/change/20260822T0600486828500000/303206 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v17 | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v18 |
| ef:activity/change/20260822T0600486828500000/390998 | properties | ef:agent/normalise_property_values | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v18 | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v19 |
| ef:activity/change/20260822T0600486828500000/398855 | types | ef:agent/link_flows_to_their_substance | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v19 | ef:flow/0d655c0f-4d08-4205-b354-353e8727fcbf/v20 |