Acetic Acid, 2-mercapto-, Calcium Salt (1:1)
Everything that changed this flow. Back to the flow
b018b928-f4ba-4e5c-91ef-a982fbdb04e2
By field
13 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, 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=aceticacid,2-mercapto-,calciumsalt(1:1)||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'29820-13-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b21829a76cb2334: {'29820-13-1': '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 fresh water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['29820-13-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[22039, 169924, 87072493]; selected_pubchem_cids=[87072493]; 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
18| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 22,247 | bootstrap_labels | prefLabel | — | [{"@value":"acetic acid, 2-mercapto-, calcium salt (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | Bootstrapped prefLabel from legacy name field |
| 22,248 | bootstrap_labels | name | acetic acid, 2-mercapto-, calcium salt (1:1) | — | Purged legacy name field to enforce prefLabel usage |
| 22,249 | bootstrap_labels | synonyms | ["organic","calciumsulphidoacetate","calciumthioglycolatehydroxide","calciumthioglycolatetrihyrate","calciumthioglycola… | [] | Removed legacy synonyms field in favor of structured labels |
| 154,554 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Surface water"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 154,555 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-suwa | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to fresh water |
| 220,420 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 226,106 | normalize_name_case | prefLabel | [{"@value":"acetic acid, 2-mercapto-, calcium salt (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | [{"@value":"Acetic Acid, 2-mercapto-, Calcium Salt (1:1)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_l… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 247,331 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H4CaO2S"… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 247,332 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 247,333 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=29820-13-1","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['29820-13-1']; matched_chebi_ids=[]; candidate_pubchem_cids=[22039, 169924, 87072493]; selected_pubchem_cids=[87072493]; 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 |
| 254,131 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H4CaO2S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H4CaO2S"… | rdkit_pre_consensus from 'C(C(=O)O)S.[Ca]'; added: molecular_mass, monoisotopic_mass |
| 263,500 | consensus_match | altLabel | [] | [{"@value":"Acetic acid, mercapto-, calcium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","p… | group_key=aceticacid,2-mercapto-,calciumsalt(1:1)||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=29820-13-1; added Common Chemistry CAS names as altLabel: Acetic acid, mercapto-, calcium salt, Acetic acid, mercapto-, calcium salt (1:1), Calcium <em>S</em>,<em>O</em>-thioglycolate, Glycolic acid, thio-, calcium salt (1:1); object_uuid=fo-8b21829a76cb2334 |
| 263,501 | consensus_match | cas_match_labels | — | {"29820-13-1":"exactMatch"} | group_key=aceticacid,2-mercapto-,calciumsalt(1:1)||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'29820-13-1': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-8b21829a76cb2334: {'29820-13-1': 'exactMatch'} |
| 286,206 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H4CaO2S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H4CaO2S"… | rdkit_post_consensus from 'C(C(=O)O)S.[Ca]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 293,168 | dedupe_altlabels | altLabel | [{"@value":"Acetic acid, mercapto-, calcium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","p… | [{"@value":"Acetic acid, mercapto-, calcium salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","p… | Deduplicated altLabel values and removed entries matching prefLabel |
| 358,299 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/b018b928-f4ba-… | associations resolved on the elementary layer |
| 393,724 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H4CaO2S"… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H4CaO2S"… | typed the way the ontology types it |
| 402,877 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/MolecularComplex"] | 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/20260821T1554374006150000/22247 | prefLabel | ef:agent/bootstrap_labels | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v0 | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v1 |
| ef:activity/change/20260821T1554374006150000/22248 | name | ef:agent/bootstrap_labels | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v1 | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v2 |
| ef:activity/change/20260821T1554374006150000/22249 | synonyms | ef:agent/bootstrap_labels | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v2 | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v3 |
| ef:activity/change/20260821T1554374006150000/154554 | context | ef:agent/default_context_mapping | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v3 | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v4 |
| ef:activity/change/20260821T1554374006150000/154555 | context_iri | ef:agent/default_context_mapping | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v4 | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v5 |
| ef:activity/change/20260821T1554374006150000/220420 | unit_iri | ef:agent/unit_normalization | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v5 | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v6 |
| ef:activity/change/20260821T1554374006150000/226106 | prefLabel | ef:agent/normalize_name_case | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v6 | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v7 |
| ef:activity/change/20260821T1554374006150000/247331 | properties | ef:agent/enrich_references | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v7 | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v8 |
| ef:activity/change/20260821T1554374006150000/247332 | skos_definition | ef:agent/enrich_references | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v8 | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v9 |
| ef:activity/change/20260821T1554374006150000/247333 | references | ef:agent/enrich_references | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v9 | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v10 |
| ef:activity/change/20260821T1554374006150000/254131 | properties | ef:agent/rdkit_pre_consensus | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v10 | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v11 |
| ef:activity/change/20260821T1554374006150000/263500 | altLabel | ef:agent/consensus_match | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v11 | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v12 |
| ef:activity/change/20260821T1554374006150000/263501 | cas_match_labels | ef:agent/consensus_match | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v12 | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v13 |
| ef:activity/change/20260821T1554374006150000/286206 | properties | ef:agent/rdkit_post_consensus | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v13 | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v14 |
| ef:activity/change/20260821T1554374006150000/293168 | altLabel | ef:agent/dedupe_altlabels | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v14 | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v15 |
| ef:activity/change/20260821T1554374006150000/358299 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v15 | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v16 |
| ef:activity/change/20260821T1554374006150000/393724 | properties | ef:agent/normalise_property_values | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v16 | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v17 |
| ef:activity/change/20260821T1554374006150000/402877 | types | ef:agent/link_flows_to_their_substance | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v17 | ef:flow/b018b928-f4ba-4e5c-91ef-a982fbdb04e2/v18 |