Molybdenum Disulfide
Everything that changed this flow. Back to the flow
9b510196-f67c-45a3-acb0-e915f6cae7ea
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=molybdenumdisulfide||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'12612-50-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-ed1e60245b1715d2: {'12612-50-9': '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 soil > Emissions to soil, unspecified |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['12612-50-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[5249824, 6365228, 10130318]; selected_pubchem_cids=[5249824]; 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 |
|---|---|---|---|---|---|
| 19,785 | bootstrap_labels | prefLabel | — | [{"@value":"molybdenum disulfide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Bootstrapped prefLabel from legacy name field |
| 19,786 | bootstrap_labels | name | molybdenum disulfide | — | Purged legacy name field to enforce prefLabel usage |
| 19,787 | bootstrap_labels | synonyms | ["inorganic","molybdenumsulfide"] | [] | Removed legacy synonyms field in favor of structured labels |
| 142,194 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Ground","geography":"Unknown"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 142,195 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-grou-unkn | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to soil > Emissions to soil, unspecified |
| 219,769 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,588 | normalize_name_case | prefLabel | [{"@value":"molybdenum disulfide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | [{"@value":"Molybdenum Disulfide","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribut… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 245,535 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["MoS"],"att… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 245,536 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 245,537 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=12612-50-9","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['12612-50-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[5249824, 6365228, 10130318]; selected_pubchem_cids=[5249824]; 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 |
| 253,606 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["MoS"],"att… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["MoS"],"att… | rdkit_pre_consensus from 'S=[Mo]'; added: molecular_mass, monoisotopic_mass |
| 269,032 | consensus_match | altLabel | [] | [{"@value":"Molybdenum polysulfide (MoS<sub>x</sub>)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | group_key=molybdenumdisulfide||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); cas=12612-50-9; added Common Chemistry CAS names as altLabel: Molybdenum polysulfide (MoS<sub>x</sub>), Molybdenum sulfide; object_uuid=fo-ed1e60245b1715d2 |
| 269,033 | consensus_match | cas_match_labels | — | {"12612-50-9":"exactMatch"} | group_key=molybdenumdisulfide||dimension=Environmental > media=Air > strata=Ground level > population_density=Urban (>1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'12612-50-9': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-ed1e60245b1715d2: {'12612-50-9': 'exactMatch'} |
| 285,614 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["MoS"],"att… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["MoS"],"att… | rdkit_post_consensus from 'S=[Mo]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 293,047 | dedupe_altlabels | altLabel | [{"@value":"Molybdenum polysulfide (MoS<sub>x</sub>)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match… | [{"@value":"Molybdenum polysulfide (MoSx)","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:was… | Deduplicated altLabel values and removed entries matching prefLabel |
| 352,092 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/9b510196-f67c-… | associations resolved on the elementary layer |
| 393,187 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["MoS"],"att… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["MoS"],"att… | typed the way the ontology types it |
| 402,032 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260820T1812399309960000/19785 | prefLabel | ef:agent/bootstrap_labels | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v0 | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v1 |
| ef:activity/change/20260820T1812399309960000/19786 | name | ef:agent/bootstrap_labels | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v1 | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v2 |
| ef:activity/change/20260820T1812399309960000/19787 | synonyms | ef:agent/bootstrap_labels | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v2 | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v3 |
| ef:activity/change/20260820T1812399309960000/142194 | context | ef:agent/default_context_mapping | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v3 | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v4 |
| ef:activity/change/20260820T1812399309960000/142195 | context_iri | ef:agent/default_context_mapping | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v4 | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v5 |
| ef:activity/change/20260820T1812399309960000/219769 | unit_iri | ef:agent/unit_normalization | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v5 | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v6 |
| ef:activity/change/20260820T1812399309960000/225588 | prefLabel | ef:agent/normalize_name_case | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v6 | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v7 |
| ef:activity/change/20260820T1812399309960000/245535 | properties | ef:agent/enrich_references | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v7 | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v8 |
| ef:activity/change/20260820T1812399309960000/245536 | skos_definition | ef:agent/enrich_references | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v8 | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v9 |
| ef:activity/change/20260820T1812399309960000/245537 | references | ef:agent/enrich_references | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v9 | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v10 |
| ef:activity/change/20260820T1812399309960000/253606 | properties | ef:agent/rdkit_pre_consensus | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v10 | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v11 |
| ef:activity/change/20260820T1812399309960000/269032 | altLabel | ef:agent/consensus_match | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v11 | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v12 |
| ef:activity/change/20260820T1812399309960000/269033 | cas_match_labels | ef:agent/consensus_match | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v12 | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v13 |
| ef:activity/change/20260820T1812399309960000/285614 | properties | ef:agent/rdkit_post_consensus | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v13 | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v14 |
| ef:activity/change/20260820T1812399309960000/293047 | altLabel | ef:agent/dedupe_altlabels | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v14 | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v15 |
| ef:activity/change/20260820T1812399309960000/352092 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v15 | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v16 |
| ef:activity/change/20260820T1812399309960000/393187 | properties | ef:agent/normalise_property_values | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v16 | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v17 |
| ef:activity/change/20260820T1812399309960000/402032 | types | ef:agent/link_flows_to_their_substance | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v17 | ef:flow/9b510196-f67c-45a3-acb0-e915f6cae7ea/v18 |