Dinocap
Everything that changed this flow. Back to the flow
81964b36-3569-41dc-b7c5-c89a08797f4d
By field
12 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, link_flows_to_their_substance, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | the substance's answer, copied onto its flow |
| altLabel | 2 | 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=dinocap||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'39300-45-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dfad3041627a565e: {'39300-45-3': '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 water, unspecified (long-term) |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, 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=['39300-45-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[22498, 65293, 5284389, 53249535, 53724570, 71312641, 156614068, 163198912, 171042517]; selected_pubchem_cids=[156614068, 163198912, 171042517]; 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 |
| 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 20,220 | bootstrap_labels | prefLabel | — | [{"@value":"dinocap","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"consen… | Bootstrapped prefLabel from legacy name field |
| 20,221 | bootstrap_labels | name | dinocap | — | Purged legacy name field to enforce prefLabel usage |
| 126,796 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Long-term"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 126,797 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-lote | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to water, unspecified (long-term) |
| 219,895 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,676 | normalize_name_case | prefLabel | [{"@value":"dinocap","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"consen… | [{"@value":"Dinocap","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"consen… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 245,886 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H24N2O6… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=3) |
| 245,887 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 245,888 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.049.444","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['39300-45-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[22498, 65293, 5284389, 53249535, 53724570, 71312641, 156614068, 163198912, 171042517]; selected_pubchem_cids=[156614068, 163198912, 171042517]; 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 |
| 253,708 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H24N2O6… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H24N2O6… | rdkit_pre_consensus from 'C/C=C/C(=O)OC1=C(C=C(C=C1[N+](=O)[O-])CCCCCC(C)C)[N+](=O)[O-].C/C=C/C(=O)OC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CCCCCC(C)C'; added: molecular_mass, monoisotopic_mass |
| 266,192 | consensus_match | altLabel | [] | [{"@value":"2-Butenoic acid, 2(<em>or</em> 4)-isooctyl-4,6(<em>or</em> 2,6)-dinitrophenyl ester","@language":"en","sour… | group_key=dinocap||dimension=Environmental > media=Water > water_body=Ocean; cas=39300-45-3; added Common Chemistry CAS names as altLabel: 2-Butenoic acid, 2(<em>or</em> 4)-isooctyl-4,6(<em>or</em> 2,6)-dinitrophenyl ester, Caprane, Carathane, Crotothane, DPC, DPC (pesticide), Dicap, Karathane, Karathane 25, Karathane FN 57, Karathane LC, Mildex; object_uuid=fo-dfad3041627a565e |
| 266,193 | consensus_match | cas_match_labels | — | {"39300-45-3":"exactMatch"} | group_key=dinocap||dimension=Environmental > media=Water > water_body=Ocean; group_sources=['ec_inventory', 'pubchem']; cas_sources={'39300-45-3': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-dfad3041627a565e: {'39300-45-3': 'exactMatch'} |
| 285,730 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H24N2O6… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H24N2O6… | rdkit_post_consensus from 'C/C=C/C(=O)OC1=C(C=C(C=C1[N+](=O)[O-])CCCCCC(C)C)[N+](=O)[O-].C/C=C/C(=O)OC1=C(C=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CCCCCC(C)C'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,167 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H24N2O6… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H24N2O6… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 3 candidate structures, so no one mass describes it |
| 293,075 | dedupe_altlabels | altLabel | [{"@value":"2-Butenoic acid, 2(<em>or</em> 4)-isooctyl-4,6(<em>or</em> 2,6)-dinitrophenyl ester","@language":"en","sour… | [{"@value":"2-Butenoic acid, 2(or 4)-isooctyl-4,6(or 2,6)-dinitrophenyl ester","@language":"en","source":{"prov:wasGene… | Deduplicated altLabel values and removed entries matching prefLabel |
| 344,400 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/81964b36-3569-… | associations resolved on the elementary layer |
| 402,189 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
| 402,190 | link_flows_to_their_substance | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H24N2O6… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C18H24N2O6… | the substance's answer, copied onto its flow |
PROV-O trail
18 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/20260822T0600486828500000/20220 | prefLabel | ef:agent/bootstrap_labels | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v0 | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v1 |
| ef:activity/change/20260822T0600486828500000/20221 | name | ef:agent/bootstrap_labels | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v1 | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v2 |
| ef:activity/change/20260822T0600486828500000/126796 | context | ef:agent/default_context_mapping | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v2 | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v3 |
| ef:activity/change/20260822T0600486828500000/126797 | context_iri | ef:agent/default_context_mapping | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v3 | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v4 |
| ef:activity/change/20260822T0600486828500000/219895 | unit_iri | ef:agent/unit_normalization | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v4 | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v5 |
| ef:activity/change/20260822T0600486828500000/225676 | prefLabel | ef:agent/normalize_name_case | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v5 | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v6 |
| ef:activity/change/20260822T0600486828500000/245886 | properties | ef:agent/enrich_references | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v6 | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v7 |
| ef:activity/change/20260822T0600486828500000/245887 | skos_definition | ef:agent/enrich_references | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v7 | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v8 |
| ef:activity/change/20260822T0600486828500000/245888 | references | ef:agent/enrich_references | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v8 | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v9 |
| ef:activity/change/20260822T0600486828500000/253708 | properties | ef:agent/rdkit_pre_consensus | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v9 | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v10 |
| ef:activity/change/20260822T0600486828500000/266192 | altLabel | ef:agent/consensus_match | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v10 | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v11 |
| ef:activity/change/20260822T0600486828500000/266193 | cas_match_labels | ef:agent/consensus_match | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v11 | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v12 |
| ef:activity/change/20260822T0600486828500000/285730 | properties | ef:agent/rdkit_post_consensus | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v12 | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v13 |
| ef:activity/change/20260822T0600486828500000/287167 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v13 | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v14 |
| ef:activity/change/20260822T0600486828500000/293075 | altLabel | ef:agent/dedupe_altlabels | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v14 | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v15 |
| ef:activity/change/20260822T0600486828500000/344400 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v15 | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v16 |
| ef:activity/change/20260822T0600486828500000/402189 | types | ef:agent/link_flows_to_their_substance | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v16 | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v17 |
| ef:activity/change/20260822T0600486828500000/402190 | properties | ef:agent/link_flows_to_their_substance | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v17 | ef:flow/81964b36-3569-41dc-b7c5-c89a08797f4d/v18 |