Paraquat-dimethylsulfate
Everything that changed this flow. Back to the flow
0f30565d-ce63-42df-b3ec-272bc5f3907b
By field
14 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 4 | enrich_references, normalise_property_values, 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): 'OK 621' (grade code), 'PP 910' (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=paraquat-dimethylsulfate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2074-50-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0399baa0b05996fd: {'2074-50-2': '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 urban air close to ground |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| ec_numbers | 1 | ec_cross_check | Resolved from EC-inventory: 218-196-3 from CAS 2074-50-2 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['2074-50-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[62422, 23623872, 129893647]; selected_pubchem_cids=[23623872]; 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 |
|---|---|---|---|---|---|
| 12,393 | bootstrap_labels | prefLabel | — | [{"@value":"paraquat-dimethylsulfate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Bootstrapped prefLabel from legacy name field |
| 12,394 | bootstrap_labels | name | paraquat-dimethylsulfate | — | Purged legacy name field to enforce prefLabel usage |
| 12,395 | bootstrap_labels | synonyms | ["1',1'-Dimethyl-4,4'-dipyridinium di(methyl sulfate)","1,1'-Dimethyl-4,4'-bipyridinium bis(methyl sulfate)","1,1'-Dime… | [] | Removed legacy synonyms field in favor of structured labels |
| 46,316 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Ground level","population_density":"Urban (>1000 people/square mil… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 46,317 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-grle-ur10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to urban air close to ground |
| 217,440 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 223,964 | normalize_name_case | prefLabel | [{"@value":"paraquat-dimethylsulfate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | [{"@value":"Paraquat-dimethylsulfate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttr… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 226,956 | ec_cross_check | ec_numbers | [] | ["218-196-3"] | Resolved from EC-inventory: 218-196-3 from CAS 2074-50-2 |
| 238,952 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H17N2O4… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 238,953 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 238,954 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=2074-50-2","provenance":{"prov:wasGeneratedBy":"enrich_reference… | Added references with provenance; cas_numbers=['2074-50-2']; matched_chebi_ids=[]; candidate_pubchem_cids=[62422, 23623872, 129893647]; selected_pubchem_cids=[23623872]; 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 |
| 251,700 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H17N2O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H17N2O4… | rdkit_pre_consensus from 'C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.COS(=O)(=O)[O-]'; added: molecular_mass, monoisotopic_mass |
| 270,369 | consensus_match | altLabel | [] | [{"@value":"1,1′-Dimethyl-4,4′-bipyridinium bis(methyl sulfate)","@language":"en","source":{"prov:wasGeneratedBy":"cons… | group_key=paraquat-dimethylsulfate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=2074-50-2; added Common Chemistry CAS names as altLabel: 1,1′-Dimethyl-4,4′-bipyridinium bis(methyl sulfate), 1,1′-Dimethyl-4,4′-bipyridinium dimethosulfate, 1,1′-Dimethyl-4,4′-bipyridinium methyl sulfate (1:2), 1,1′-Dimethyl-4,4′-bipyridylium dimethylsulfate, 1,1′-Dimethyl-4,4′-dipyridinium di(methyl sulfate), 1,1′-Dimethyl-4,4′-dipyridinium dimethosulfate, 4,4′-Bipyridinium, 1,1′-dimethyl-, bis(methyl sulfate), 4,4′-Bipyridinium, 1,1′-dimethyl-, methyl sulfate (1:2), <em>N</em>,<em>N</em>′-Dimethyl-4,4′-bipyridinium methosulfate, Gramoxone methyl sulfate, OK 621, PP 910, Paraquat I, Paraquat bis(methyl sulfate), Paraquat dimethosulfate, Paraquat dimethyl sulphate, Paraquat methosulfate, Paraquat methyl sulfate; object_uuid=fo-0399baa0b05996fd |
| 270,370 | consensus_match | cas_match_labels | — | {"2074-50-2":"exactMatch"} | group_key=paraquat-dimethylsulfate||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'2074-50-2': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-0399baa0b05996fd: {'2074-50-2': 'exactMatch'} |
| 283,532 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H17N2O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H17N2O4… | rdkit_post_consensus from 'C[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)C.COS(=O)(=O)[O-]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 289,809 | strip_catalogue_altlabels | altLabel | [{"@value":"1,1′-Dimethyl-4,4′-bipyridinium bis(methyl sulfate)","@language":"en","source":{"prov:wasGeneratedBy":"cons… | [{"@value":"1,1′-Dimethyl-4,4′-bipyridinium bis(methyl sulfate)","@language":"en","source":{"prov:wasGeneratedBy":"cons… | Removed 2 catalogue altLabel value(s): 'OK 621' (grade code), 'PP 910' (grade code) |
| 304,185 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/0f30565d-ce63-… | associations resolved on the elementary layer |
| 391,243 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H17N2O4… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C13H17N2O4… | typed the way the ontology types it |
| 399,185 | 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/20260821T1554374006150000/12393 | prefLabel | ef:agent/bootstrap_labels | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v0 | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v1 |
| ef:activity/change/20260821T1554374006150000/12394 | name | ef:agent/bootstrap_labels | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v1 | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v2 |
| ef:activity/change/20260821T1554374006150000/12395 | synonyms | ef:agent/bootstrap_labels | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v2 | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v3 |
| ef:activity/change/20260821T1554374006150000/46316 | context | ef:agent/default_context_mapping | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v3 | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v4 |
| ef:activity/change/20260821T1554374006150000/46317 | context_iri | ef:agent/default_context_mapping | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v4 | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v5 |
| ef:activity/change/20260821T1554374006150000/217440 | unit_iri | ef:agent/unit_normalization | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v5 | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v6 |
| ef:activity/change/20260821T1554374006150000/223964 | prefLabel | ef:agent/normalize_name_case | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v6 | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v7 |
| ef:activity/change/20260821T1554374006150000/226956 | ec_numbers | ef:agent/ec_cross_check | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v7 | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v8 |
| ef:activity/change/20260821T1554374006150000/238952 | properties | ef:agent/enrich_references | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v8 | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v9 |
| ef:activity/change/20260821T1554374006150000/238953 | skos_definition | ef:agent/enrich_references | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v9 | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v10 |
| ef:activity/change/20260821T1554374006150000/238954 | references | ef:agent/enrich_references | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v10 | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v11 |
| ef:activity/change/20260821T1554374006150000/251700 | properties | ef:agent/rdkit_pre_consensus | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v11 | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v12 |
| ef:activity/change/20260821T1554374006150000/270369 | altLabel | ef:agent/consensus_match | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v12 | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v13 |
| ef:activity/change/20260821T1554374006150000/270370 | cas_match_labels | ef:agent/consensus_match | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v13 | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v14 |
| ef:activity/change/20260821T1554374006150000/283532 | properties | ef:agent/rdkit_post_consensus | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v14 | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v15 |
| ef:activity/change/20260821T1554374006150000/289809 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v15 | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v16 |
| ef:activity/change/20260821T1554374006150000/304185 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v16 | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v17 |
| ef:activity/change/20260821T1554374006150000/391243 | properties | ef:agent/normalise_property_values | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v17 | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v18 |
| ef:activity/change/20260821T1554374006150000/399185 | types | ef:agent/link_flows_to_their_substance | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v18 | ef:flow/0f30565d-ce63-42df-b3ec-272bc5f3907b/v19 |