Calcium Bis(methylarsonate)
Everything that changed this flow. Back to the flow
01e8056f-f3cc-488a-880f-078db489e5b6
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_ambiguous_mass | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 3 candidate structures, so no one mass describes it |
| prefLabel | 2 | bootstrap_labels, normalize_name_case | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| altLabel | 1 | consensus_match | group_key=calciumbis(methylarsonate)||dimension=Environmental > media=Air > strata=Unknown; cas=5902-95-4; added Common Chemistry CAS names as altLabel: Arsonic acid, methyl-, calcium salt (2:1), CMA, Calar, Calcium acid methanearsonate, Calcium hydrogen methanearsonate, Methanearsonic acid, calcium salt (2:1); object_uuid=fo-2a78e1d424c23e82 |
| cas_match_labels | 1 | consensus_match | group_key=calciumbis(methylarsonate)||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'5902-95-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2a78e1d424c23e82: {'5902-95-4': '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 |
| 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 |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['5902-95-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[22193, 23618483, 73555192, 87240211, 102248352]; selected_pubchem_cids=[22193, 23618483, 73555192, 87240211]; 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 |
|---|---|---|---|---|---|
| 1,591 | bootstrap_labels | prefLabel | — | [{"@value":"calcium bis(methylarsonate)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | Bootstrapped prefLabel from legacy name field |
| 1,592 | bootstrap_labels | name | calcium bis(methylarsonate) | — | Purged legacy name field to enforce prefLabel usage |
| 1,593 | bootstrap_labels | synonyms | ["AC1L1S04","AC1Q5A4X","Arsonic acid, methyl-","CMA","DSMA (JMAF)","Kyselina methylarsonova","METHANEARSONIC ACID","Met… | [] | Removed legacy synonyms field in favor of structured labels |
| 27,008 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 27,009 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to air, unspecified |
| 213,874 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 221,465 | normalize_name_case | prefLabel | [{"@value":"calcium bis(methylarsonate)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | [{"@value":"Calcium Bis(methylarsonate)","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasA… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 228,718 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H10As2Ca… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=4) |
| 228,719 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 228,720 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.025.089","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['5902-95-4']; matched_chebi_ids=[]; candidate_pubchem_cids=[22193, 23618483, 73555192, 87240211, 102248352]; selected_pubchem_cids=[22193, 23618483, 73555192, 87240211]; 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 |
| 248,765 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H10As2Ca… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H10As2Ca… | rdkit_pre_consensus from 'C[As](=O)(O)O.C[As](=O)(O)O.[Ca]'; added: molecular_mass, monoisotopic_mass |
| 264,781 | consensus_match | altLabel | [] | [{"@value":"Arsonic acid, methyl-, calcium salt (2:1)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_matc… | group_key=calciumbis(methylarsonate)||dimension=Environmental > media=Air > strata=Unknown; cas=5902-95-4; added Common Chemistry CAS names as altLabel: Arsonic acid, methyl-, calcium salt (2:1), CMA, Calar, Calcium acid methanearsonate, Calcium hydrogen methanearsonate, Methanearsonic acid, calcium salt (2:1); object_uuid=fo-2a78e1d424c23e82 |
| 264,782 | consensus_match | cas_match_labels | — | {"5902-95-4":"exactMatch"} | group_key=calciumbis(methylarsonate)||dimension=Environmental > media=Air > strata=Unknown; group_sources=['ec_inventory', 'pubchem']; cas_sources={'5902-95-4': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2a78e1d424c23e82: {'5902-95-4': 'exactMatch'} |
| 273,904 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H10As2Ca… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H10As2Ca… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Arsonic acid, methyl-, calcium salt (2:1)' |
| 280,294 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H10As2Ca… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H10As2Ca… | rdkit_post_consensus from 'C[As](=O)(O)O.C[As](=O)([O-])[O-].[Ca+2]'; added: molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula |
| 286,764 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H10As2Ca… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C2H10As2Ca… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 3 candidate structures, so no one mass describes it |
| 294,570 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/01e8056f-f3cc-… | associations resolved on the elementary layer |
| 394,816 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | 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/20260820T1555490862250000/1591 | prefLabel | ef:agent/bootstrap_labels | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v0 | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v1 |
| ef:activity/change/20260820T1555490862250000/1592 | name | ef:agent/bootstrap_labels | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v1 | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v2 |
| ef:activity/change/20260820T1555490862250000/1593 | synonyms | ef:agent/bootstrap_labels | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v2 | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v3 |
| ef:activity/change/20260820T1555490862250000/27008 | context | ef:agent/default_context_mapping | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v3 | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v4 |
| ef:activity/change/20260820T1555490862250000/27009 | context_iri | ef:agent/default_context_mapping | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v4 | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v5 |
| ef:activity/change/20260820T1555490862250000/213874 | unit_iri | ef:agent/unit_normalization | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v5 | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v6 |
| ef:activity/change/20260820T1555490862250000/221465 | prefLabel | ef:agent/normalize_name_case | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v6 | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v7 |
| ef:activity/change/20260820T1555490862250000/228718 | properties | ef:agent/enrich_references | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v7 | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v8 |
| ef:activity/change/20260820T1555490862250000/228719 | skos_definition | ef:agent/enrich_references | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v8 | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v9 |
| ef:activity/change/20260820T1555490862250000/228720 | references | ef:agent/enrich_references | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v9 | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v10 |
| ef:activity/change/20260820T1555490862250000/248765 | properties | ef:agent/rdkit_pre_consensus | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v10 | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v11 |
| ef:activity/change/20260820T1555490862250000/264781 | altLabel | ef:agent/consensus_match | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v11 | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v12 |
| ef:activity/change/20260820T1555490862250000/264782 | cas_match_labels | ef:agent/consensus_match | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v12 | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v13 |
| ef:activity/change/20260820T1555490862250000/273904 | properties | ef:agent/opsin_iupac | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v13 | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v14 |
| ef:activity/change/20260820T1555490862250000/280294 | properties | ef:agent/rdkit_post_consensus | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v14 | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v15 |
| ef:activity/change/20260820T1555490862250000/286764 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v15 | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v16 |
| ef:activity/change/20260820T1555490862250000/294570 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v16 | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v17 |
| ef:activity/change/20260820T1555490862250000/394816 | types | ef:agent/link_flows_to_their_substance | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v17 | ef:flow/01e8056f-f3cc-488a-880f-078db489e5b6/v18 |