Titanium Oxide Sulphate
Everything that changed this flow. Back to the flow
af615eff-a620-4400-ae02-04598b5b6629
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 2 candidate structures, so no one mass describes it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'Uniti 909' (trade name) |
| 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=titaniumoxidesulphate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'13825-74-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-14032a4f55f73e0e: {'13825-74-6': '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=['13825-74-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[61684, 10419459, 10866624, 16211270, 22836318, 23364890, 71311285, 71312680]; selected_pubchem_cids=[10866624]; 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 |
|---|---|---|---|---|---|
| 16,723 | bootstrap_labels | prefLabel | — | [{"@value":"titanium oxide sulphate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Bootstrapped prefLabel from legacy name field |
| 16,724 | bootstrap_labels | name | titanium oxide sulphate | — | Purged legacy name field to enforce prefLabel usage |
| 16,725 | bootstrap_labels | synonyms | ["inorganic","titaniumoxidesulphate","hombityl","kronos6090","kronos6091","kronostitanylsulphatesolution","titanilovsul… | [] | Removed legacy synonyms field in favor of structured labels |
| 154,102 | 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 |
| 154,103 | 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 |
| 218,825 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 224,920 | normalize_name_case | prefLabel | [{"@value":"titanium oxide sulphate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | [{"@value":"Titanium Oxide Sulphate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 242,897 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["O5STi"],"a… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 242,898 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 242,899 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=13825-74-6","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['13825-74-6']; matched_chebi_ids=[]; candidate_pubchem_cids=[61684, 10419459, 10866624, 16211270, 22836318, 23364890, 71311285, 71312680]; selected_pubchem_cids=[10866624]; 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 |
| 252,845 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["O5STi"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["O5STi"],"a… | rdkit_pre_consensus from '[O-]S(=O)(=O)[O-].O=[Ti+2]'; added: molecular_mass, monoisotopic_mass |
| 272,658 | consensus_match | altLabel | [] | [{"@value":"Oxo[sulfato(2-)-κ<em>O</em>,κ<em>O</em>′]titanium","@language":"en","source":{"prov:wasGeneratedBy":"consen… | group_key=titaniumoxidesulphate||dimension=Environmental > media=Ground > geography=Agricultural; cas=13825-74-6; added Common Chemistry CAS names as altLabel: Oxo[sulfato(2-)-κ<em>O</em>,κ<em>O</em>′]titanium, Tai-Sult Y 9, Titanium oxide sulfate, Titanium oxide sulfate (TiO(SO<sub>4</sub>)), Titanium oxysulfate, Titanium, oxo[sulfato(2-)-<em>O</em>,<em>O</em>′]-, Titanium, oxo[sulfato(2-)-κ<em>O</em>,κ<em>O</em>′]-, Titanium, oxosulfato-, Titanyl sulfate (TiO(SO<sub>4</sub>)), Uniti 909; object_uuid=fo-14032a4f55f73e0e |
| 272,659 | consensus_match | cas_match_labels | — | {"13825-74-6":"exactMatch"} | group_key=titaniumoxidesulphate||dimension=Environmental > media=Ground > geography=Agricultural; group_sources=['ec_inventory', 'pubchem']; cas_sources={'13825-74-6': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-14032a4f55f73e0e: {'13825-74-6': 'exactMatch'} |
| 278,047 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["O5STi"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["O5STi"],"a… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Titanium Oxide Sulphate' |
| 284,777 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["O5STi"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["O5STi"],"a… | rdkit_post_consensus from 'O=S(=O)([O-])[O-].[O-2].[Ti+4]'; added: inchi2d_key_string; confirmed: smiles_string, inchi2d_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 287,090 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["O5STi"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["O5STi"],"a… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 2 candidate structures, so no one mass describes it |
| 290,649 | strip_catalogue_altlabels | altLabel | [{"@value":"Oxo[sulfato(2-)-κ<em>O</em>,κ<em>O</em>′]titanium","@language":"en","source":{"prov:wasGeneratedBy":"consen… | [{"@value":"Oxo[sulfato(2-)-κO,κO′]titanium","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:w… | Removed 1 catalogue altLabel value(s): 'Uniti 909' (trade name) |
| 358,072 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/af615eff-a620-… | associations resolved on the elementary layer |
| 400,854 | 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/20260821T1122181958110000/16723 | prefLabel | ef:agent/bootstrap_labels | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v0 | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v1 |
| ef:activity/change/20260821T1122181958110000/16724 | name | ef:agent/bootstrap_labels | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v1 | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v2 |
| ef:activity/change/20260821T1122181958110000/16725 | synonyms | ef:agent/bootstrap_labels | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v2 | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v3 |
| ef:activity/change/20260821T1122181958110000/154102 | context | ef:agent/default_context_mapping | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v3 | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v4 |
| ef:activity/change/20260821T1122181958110000/154103 | context_iri | ef:agent/default_context_mapping | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v4 | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v5 |
| ef:activity/change/20260821T1122181958110000/218825 | unit_iri | ef:agent/unit_normalization | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v5 | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v6 |
| ef:activity/change/20260821T1122181958110000/224920 | prefLabel | ef:agent/normalize_name_case | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v6 | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v7 |
| ef:activity/change/20260821T1122181958110000/242897 | properties | ef:agent/enrich_references | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v7 | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v8 |
| ef:activity/change/20260821T1122181958110000/242898 | skos_definition | ef:agent/enrich_references | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v8 | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v9 |
| ef:activity/change/20260821T1122181958110000/242899 | references | ef:agent/enrich_references | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v9 | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v10 |
| ef:activity/change/20260821T1122181958110000/252845 | properties | ef:agent/rdkit_pre_consensus | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v10 | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v11 |
| ef:activity/change/20260821T1122181958110000/272658 | altLabel | ef:agent/consensus_match | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v11 | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v12 |
| ef:activity/change/20260821T1122181958110000/272659 | cas_match_labels | ef:agent/consensus_match | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v12 | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v13 |
| ef:activity/change/20260821T1122181958110000/278047 | properties | ef:agent/opsin_iupac | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v13 | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v14 |
| ef:activity/change/20260821T1122181958110000/284777 | properties | ef:agent/rdkit_post_consensus | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v14 | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v15 |
| ef:activity/change/20260821T1122181958110000/287090 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v15 | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v16 |
| ef:activity/change/20260821T1122181958110000/290649 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v16 | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v17 |
| ef:activity/change/20260821T1122181958110000/358072 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v17 | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v18 |
| ef:activity/change/20260821T1122181958110000/400854 | types | ef:agent/link_flows_to_their_substance | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v18 | ef:flow/af615eff-a620-4400-ae02-04598b5b6629/v19 |