Nickel dichloride
Everything that changed this flow. Back to the flow
3fa2d216-7cd8-4aae-b555-17e6b177ec9c
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 5 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus | typed the way the ontology types it |
| altLabel | 4 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 1 catalogue altLabel value(s): 'NSC 254532' (registry code) |
| prefLabel | 3 | bootstrap_labels, consensus_match, normalize_name_case | cas=7718-54-9; cc_chebi_agreed_name='Nickel dichloride'; object_uuid=fo-f0f811e6b59fcfa7 |
| cas_match_labels | 1 | consensus_match | group_key=nickel(2+)dichloride||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'7718-54-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f0f811e6b59fcfa7: {'7718-54-9': '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 air > Emissions to lower stratosphere and upper troposphere |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['7718-54-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_34887']; candidate_pubchem_cids=[935, 5852, 24385, 158404]; selected_pubchem_cids=[24385]; 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
22| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 5,501 | bootstrap_labels | prefLabel | — | [{"@value":"nickel(2+) dichloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Bootstrapped prefLabel from legacy name field |
| 5,502 | bootstrap_labels | name | nickel(2+) dichloride | — | Purged legacy name field to enforce prefLabel usage |
| 5,503 | bootstrap_labels | synonyms | ["inorganic","nickeldichloride","chlorurenickelhp","nickelchloride","nickelchloridehexahydrate","nickeldichlorid-hexahy… | [] | Removed legacy synonyms field in favor of structured labels |
| 79,382 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Aircraft cruise height"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 79,383 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-aicrhe | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to lower stratosphere and upper troposphere |
| 215,176 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,370 | normalize_name_case | prefLabel | [{"@value":"nickel(2+) dichloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | [{"@value":"Nickel(2+) Dichloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,469 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl2Ni"],"a… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 232,470 | enrich_references | skos_definition | — | [{"@value":"A compound of nickel and chloride in which the ratio of nickel (in the +2 oxidation state) to chloride is 1… | Merged ChEBI/PubChem definitions into skos:definition |
| 232,471 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.028.858","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['7718-54-9']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_34887']; candidate_pubchem_cids=[935, 5852, 24385, 158404]; selected_pubchem_cids=[24385]; 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 |
| 249,835 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl2Ni"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl2Ni"],"a… | rdkit_pre_consensus from 'Cl[Ni]Cl'; added: monoisotopic_mass |
| 255,071 | chebi_altlabels | altLabel | [] | [{"@value":"NiCl2","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus… | Added 8 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 269,836 | consensus_match | prefLabel | [{"@value":"Nickel(2+) Dichloride","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttribu… | [{"@value":"Nickel dichloride","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo… | cas=7718-54-9; cc_chebi_agreed_name='Nickel dichloride'; object_uuid=fo-f0f811e6b59fcfa7 |
| 269,837 | consensus_match | altLabel | [{"@value":"NiCl2","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus… | [{"@value":"NiCl2","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus… | cas=7718-54-9; added original name as altLabel after CC/ChEBI rename; object_uuid=fo-f0f811e6b59fcfa7 |
| 269,838 | consensus_match | altLabel | [{"@value":"NiCl2","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus… | [{"@value":"NiCl2","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus… | group_key=nickel(2+)dichloride||dimension=Environmental > media=Ground > geography=Unknown; cas=7718-54-9; added Common Chemistry CAS names as altLabel: NSC 254532, Nickel chloride (NiCl<sub>2</sub>), Nickel dichloride (NiCl<sub>2</sub>); object_uuid=fo-f0f811e6b59fcfa7 |
| 269,839 | consensus_match | cas_match_labels | — | {"7718-54-9":"exactMatch"} | group_key=nickel(2+)dichloride||dimension=Environmental > media=Ground > geography=Unknown; group_sources=['chebi', 'ec_inventory', 'pubchem']; cas_sources={'7718-54-9': ['chebi', 'ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-f0f811e6b59fcfa7: {'7718-54-9': 'exactMatch'} |
| 274,974 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl2Ni"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl2Ni"],"a… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Nickel dichloride' |
| 281,458 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl2Ni"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl2Ni"],"a… | rdkit_post_consensus from '[Cl][Ni][Cl]'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 288,376 | strip_catalogue_altlabels | altLabel | [{"@value":"NiCl2","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus… | [{"@value":"NiCl2","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels","prov:wasAttributedTo":"consensus… | Removed 1 catalogue altLabel value(s): 'NSC 254532' (registry code) |
| 320,705 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/3fa2d216-7cd8-… | associations resolved on the elementary layer |
| 389,283 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl2Ni"],"a… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["Cl2Ni"],"a… | typed the way the ontology types it |
| 396,363 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | the substance's answer, copied onto its flow |
PROV-O trail
22 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/20260821T1554374006150000/5501 | prefLabel | ef:agent/bootstrap_labels | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v0 | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v1 |
| ef:activity/change/20260821T1554374006150000/5502 | name | ef:agent/bootstrap_labels | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v1 | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v2 |
| ef:activity/change/20260821T1554374006150000/5503 | synonyms | ef:agent/bootstrap_labels | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v2 | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v3 |
| ef:activity/change/20260821T1554374006150000/79382 | context | ef:agent/default_context_mapping | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v3 | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v4 |
| ef:activity/change/20260821T1554374006150000/79383 | context_iri | ef:agent/default_context_mapping | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v4 | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v5 |
| ef:activity/change/20260821T1554374006150000/215176 | unit_iri | ef:agent/unit_normalization | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v5 | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v6 |
| ef:activity/change/20260821T1554374006150000/222370 | prefLabel | ef:agent/normalize_name_case | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v6 | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v7 |
| ef:activity/change/20260821T1554374006150000/232469 | properties | ef:agent/enrich_references | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v7 | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v8 |
| ef:activity/change/20260821T1554374006150000/232470 | skos_definition | ef:agent/enrich_references | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v8 | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v9 |
| ef:activity/change/20260821T1554374006150000/232471 | references | ef:agent/enrich_references | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v9 | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v10 |
| ef:activity/change/20260821T1554374006150000/249835 | properties | ef:agent/rdkit_pre_consensus | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v10 | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v11 |
| ef:activity/change/20260821T1554374006150000/255071 | altLabel | ef:agent/chebi_altlabels | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v11 | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v12 |
| ef:activity/change/20260821T1554374006150000/269836 | prefLabel | ef:agent/consensus_match | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v12 | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v13 |
| ef:activity/change/20260821T1554374006150000/269837 | altLabel | ef:agent/consensus_match | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v13 | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v14 |
| ef:activity/change/20260821T1554374006150000/269838 | altLabel | ef:agent/consensus_match | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v14 | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v15 |
| ef:activity/change/20260821T1554374006150000/269839 | cas_match_labels | ef:agent/consensus_match | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v15 | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v16 |
| ef:activity/change/20260821T1554374006150000/274974 | properties | ef:agent/opsin_iupac | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v16 | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v17 |
| ef:activity/change/20260821T1554374006150000/281458 | properties | ef:agent/rdkit_post_consensus | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v17 | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v18 |
| ef:activity/change/20260821T1554374006150000/288376 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v18 | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v19 |
| ef:activity/change/20260821T1554374006150000/320705 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v19 | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v20 |
| ef:activity/change/20260821T1554374006150000/389283 | properties | ef:agent/normalise_property_values | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v20 | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v21 |
| ef:activity/change/20260821T1554374006150000/396363 | types | ef:agent/link_flows_to_their_substance | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v21 | ef:flow/3fa2d216-7cd8-4aae-b555-17e6b177ec9c/v22 |