Diquat Dibromide
Everything that changed this flow. Back to the flow
fe0acd60-3ddc-11dd-a592-0050c2490048
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 | 2 | consensus_match, strip_catalogue_altlabels | Removed 2 catalogue altLabel value(s): 'PP 100' (grade code), 'PP 100 (herbicide)' (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=diquatdibromide||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'85-00-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-436fcfb452394a14: {'85-00-7': '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 air, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['85-00-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[6794, 115268, 577175, 24186388, 45358444, 45358975, 76518780]; selected_pubchem_cids=[6794]; 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 |
|---|---|---|---|---|---|
| 17,397 | bootstrap_labels | prefLabel | — | [{"@value":"diquat dibromide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Bootstrapped prefLabel from legacy name field |
| 17,398 | bootstrap_labels | name | diquat dibromide | — | Purged legacy name field to enforce prefLabel usage |
| 25,532 | bootstrap_labels | synonyms | ["1,1'-Aethylen-2,2'-bipyridinium-dibromid","1,1'-Ethylene 2,2'-dipyridylium dibromide","1,1'-Ethylene-2,2'-bipyridiniu… | [] | Removed legacy synonyms field in favor of structured labels |
| 206,054 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 206,055 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified (long-term) |
| 219,041 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,074 | normalize_name_case | prefLabel | [{"@value":"diquat dibromide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | [{"@value":"Diquat Dibromide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 243,497 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H12Br2N… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 243,498 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 243,499 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.001.436","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['85-00-7']; matched_chebi_ids=[]; candidate_pubchem_cids=[6794, 115268, 577175, 24186388, 45358444, 45358975, 76518780]; selected_pubchem_cids=[6794]; 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 |
| 253,018 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H12Br2N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H12Br2N… | rdkit_pre_consensus from 'C1C[N+]2=CC=CC=C2C3=CC=CC=[N+]31.[Br-].[Br-]'; added: molecular_mass, monoisotopic_mass |
| 266,314 | consensus_match | altLabel | [] | [{"@value":"1,1′-Ethylene-2,2′-bipyridinium dibromide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_matc… | group_key=diquatdibromide||dimension=Environmental > media=Air > indoor=Unknown; cas=85-00-7; added Common Chemistry CAS names as altLabel: 1,1′-Ethylene-2,2′-bipyridinium dibromide, 1,1′-Ethylene-2,2′-bipyridylium dibromide, 6,7-Dihydrodipyrido[1,2-<em>a</em>:2′,1′-<em>c</em>]pyrazidiinium dibromide, 6,7-Dihydrodipyrido[1,2-<em>a</em>:2′,1′-<em>c</em>]pyrazinediium dibromide, 6,7-Dihydrodipyrido[1,2-<em>a</em>:2′,1′-<em>c</em>]pyrazinium dibromide, 9,10-Dihydro-8a,10a-diazoniaphenanthrene dibromide, <em>N</em>,<em>N</em>′-Ethylene-2,2′-bipyridinium dibromide, Dipyrido[1,2-<em>a</em>:2′,1′-<em>c</em>]pyrazinediium, 6,7-dihydro-, bromide (1:2), Dipyrido[1,2-<em>a</em>:2′,1′-<em>c</em>]pyrazinediium, 6,7-dihydro-, dibromide, Diquat, Eliminator, Eliminator (herbicide), Ortho-Diquat, PP 100, PP 100 (herbicide), Reglon, Reglone, Reglone Turbo, Reglox, Reward, Weedtrine D; object_uuid=fo-436fcfb452394a14 |
| 266,315 | consensus_match | cas_match_labels | — | {"85-00-7":"exactMatch"} | group_key=diquatdibromide||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'85-00-7': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-436fcfb452394a14: {'85-00-7': 'exactMatch'} |
| 278,221 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H12Br2N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H12Br2N… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '6,7-Dihydrodipyrido[1,2-a:2′,1′-c]pyrazinediium dibromide' |
| 284,965 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H12Br2N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H12Br2N… | rdkit_post_consensus from '[Br-].[Br-].c1cc[n+]2c(c1)-c1cccc[n+]1CC2'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,774 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1′-Ethylene-2,2′-bipyridinium dibromide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_matc… | [{"@value":"1,1′-Ethylene-2,2′-bipyridinium dibromide","@language":"en","source":{"prov:wasGeneratedBy":"consensus_matc… | Removed 2 catalogue altLabel value(s): 'PP 100' (grade code), 'PP 100 (herbicide)' (grade code) |
| 384,062 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/fe0acd60-3ddc-… | associations resolved on the elementary layer |
| 392,574 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H12Br2N… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C12H12Br2N… | typed the way the ontology types it |
| 401,114 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | 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/20260822T0600486828500000/17397 | prefLabel | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v0 | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v1 |
| ef:activity/change/20260822T0600486828500000/17398 | name | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v1 | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v2 |
| ef:activity/change/20260822T0600486828500000/25532 | synonyms | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v2 | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v3 |
| ef:activity/change/20260822T0600486828500000/206054 | context | ef:agent/default_context_mapping | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v3 | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v4 |
| ef:activity/change/20260822T0600486828500000/206055 | context_iri | ef:agent/default_context_mapping | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v4 | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v5 |
| ef:activity/change/20260822T0600486828500000/219041 | unit_iri | ef:agent/unit_normalization | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v5 | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v6 |
| ef:activity/change/20260822T0600486828500000/225074 | prefLabel | ef:agent/normalize_name_case | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v6 | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v7 |
| ef:activity/change/20260822T0600486828500000/243497 | properties | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v7 | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v8 |
| ef:activity/change/20260822T0600486828500000/243498 | skos_definition | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v8 | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v9 |
| ef:activity/change/20260822T0600486828500000/243499 | references | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v9 | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v10 |
| ef:activity/change/20260822T0600486828500000/253018 | properties | ef:agent/rdkit_pre_consensus | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v10 | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v11 |
| ef:activity/change/20260822T0600486828500000/266314 | altLabel | ef:agent/consensus_match | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v11 | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v12 |
| ef:activity/change/20260822T0600486828500000/266315 | cas_match_labels | ef:agent/consensus_match | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v12 | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v13 |
| ef:activity/change/20260822T0600486828500000/278221 | properties | ef:agent/opsin_iupac | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v13 | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v14 |
| ef:activity/change/20260822T0600486828500000/284965 | properties | ef:agent/rdkit_post_consensus | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v14 | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v15 |
| ef:activity/change/20260822T0600486828500000/290774 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v15 | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v16 |
| ef:activity/change/20260822T0600486828500000/384062 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v16 | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v17 |
| ef:activity/change/20260822T0600486828500000/392574 | properties | ef:agent/normalise_property_values | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v17 | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v18 |
| ef:activity/change/20260822T0600486828500000/401114 | types | ef:agent/link_flows_to_their_substance | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v18 | ef:flow/fe0acd60-3ddc-11dd-a592-0050c2490048/v19 |