Nickel (2+) Disulfamate
Everything that changed this flow. Back to the flow
6c606c2e-20ba-4a2b-9577-ec7be48f8001
By field
13 fields| Field | Changes | Written by | Latest note |
|---|---|---|---|
| properties | 6 | enrich_references, normalise_property_values, opsin_iupac, rdkit_post_consensus, rdkit_pre_consensus, withhold_contradicted_composition | typed the way the ontology types it |
| altLabel | 2 | consensus_match, strip_catalogue_altlabels | Removed 4 catalogue altLabel value(s): 'Aeronikl 250' (trade name), 'Aeronikl 400' (trade name), 'Aeronikl 575' (trade name), 'NS 169' (grade code) |
| 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=nickel(2+)disulfamate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'13770-89-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6bc2c6eb2b781877: {'13770-89-3': '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 sea water |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['13770-89-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[83720, 195233, 14228669, 54611961, 91886650, 101288913, 121233653, 170924181]; selected_pubchem_cids=[54611961]; 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
20| # | Step | Field | From | To | Why |
|---|---|---|---|---|---|
| 20,160 | bootstrap_labels | prefLabel | — | [{"@value":"nickel (2+) disulfamate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Bootstrapped prefLabel from legacy name field |
| 20,161 | bootstrap_labels | name | nickel (2+) disulfamate | — | Purged legacy name field to enforce prefLabel usage |
| 20,162 | bootstrap_labels | synonyms | ["inorganic","nickelbis(sulfamidate)","nickelbis(sulphamidate)","nickelsulfamate","nickelsulphamate","nickelsulphamates… | [] | Removed legacy synonyms field in favor of structured labels |
| 114,326 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Water","water_body":"Ocean"} | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 114,327 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-wate-ocea | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to water > Emissions to sea water |
| 219,879 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 225,667 | normalize_name_case | prefLabel | [{"@value":"nickel (2+) disulfamate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | [{"@value":"Nickel (2+) Disulfamate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttri… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 245,840 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["H3NNiO3S"]… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=1) |
| 245,841 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 245,842 | enrich_references | references | [] | [{"@id":"https://commonchemistry.cas.org/detail?cas_rn=13770-89-3","provenance":{"prov:wasGeneratedBy":"enrich_referenc… | Added references with provenance; cas_numbers=['13770-89-3']; matched_chebi_ids=[]; candidate_pubchem_cids=[83720, 195233, 14228669, 54611961, 91886650, 101288913, 121233653, 170924181]; selected_pubchem_cids=[54611961]; 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 |
| 253,694 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["H3NNiO3S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["H3NNiO3S"]… | rdkit_pre_consensus from 'NS(=O)(=O)O.[Ni]'; added: molecular_mass, monoisotopic_mass |
| 269,816 | consensus_match | altLabel | [] | [{"@value":"Aeronikl 250","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"co… | group_key=nickel(2+)disulfamate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=13770-89-3; added Common Chemistry CAS names as altLabel: Aeronikl 250, Aeronikl 400, Aeronikl 575, Melbright EF 2201, NS 169, Nickel aminosulfonate, Nickel sulfamate, Nickel sulfamate (Ni(H<sub>2</sub>NSO<sub>3</sub>)<sub>2</sub>), Nickel sulfamate (Ni(SO<sub>3</sub>NH<sub>2</sub>)<sub>2</sub>), Sulfamic acid, nickel(2+) salt (2:1); object_uuid=fo-6bc2c6eb2b781877 |
| 269,817 | consensus_match | cas_match_labels | — | {"13770-89-3":"exactMatch"} | group_key=nickel(2+)disulfamate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory']; cas_sources={'13770-89-3': ['ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-6bc2c6eb2b781877: {'13770-89-3': 'exactMatch'} |
| 278,907 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["H3NNiO3S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["H3NNiO3S"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Nickel (2+) Disulfamate' |
| 285,715 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["H3NNiO3S"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["H3NNiO3S",… | rdkit_post_consensus from 'NS(=O)(=O)[O-].NS(=O)(=O)[O-].[Ni+2]'; added: inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string |
| 286,696 | withhold_contradicted_composition | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["H3NNiO3S",… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["H4N2NiO6S2… | withhold_contradicted_composition: the registry registers [(('N', 2), ('Ni', 1), ('O', 6), ('S', 2))], contradicting ['H3NNiO3S'] from ['enrich_references.pubchem_semantic']; withdrew inchi2d_key_string x1, molecular_formula x1 |
| 291,275 | strip_catalogue_altlabels | altLabel | [{"@value":"Aeronikl 250","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo":"co… | [{"@value":"Melbright EF 2201","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:wasAttributedTo… | Removed 4 catalogue altLabel value(s): 'Aeronikl 250' (trade name), 'Aeronikl 400' (trade name), 'Aeronikl 575' (trade name), 'NS 169' (grade code) |
| 338,162 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/6c606c2e-20ba-… | associations resolved on the elementary layer |
| 393,287 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["H4N2NiO6S2… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["H4N2NiO6S2… | typed the way the ontology types it |
| 402,171 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/ChemicalSalt"] | the substance's answer, copied onto its flow |
PROV-O trail
20 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/20260821T1554374006150000/20160 | prefLabel | ef:agent/bootstrap_labels | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v0 | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v1 |
| ef:activity/change/20260821T1554374006150000/20161 | name | ef:agent/bootstrap_labels | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v1 | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v2 |
| ef:activity/change/20260821T1554374006150000/20162 | synonyms | ef:agent/bootstrap_labels | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v2 | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v3 |
| ef:activity/change/20260821T1554374006150000/114326 | context | ef:agent/default_context_mapping | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v3 | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v4 |
| ef:activity/change/20260821T1554374006150000/114327 | context_iri | ef:agent/default_context_mapping | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v4 | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v5 |
| ef:activity/change/20260821T1554374006150000/219879 | unit_iri | ef:agent/unit_normalization | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v5 | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v6 |
| ef:activity/change/20260821T1554374006150000/225667 | prefLabel | ef:agent/normalize_name_case | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v6 | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v7 |
| ef:activity/change/20260821T1554374006150000/245840 | properties | ef:agent/enrich_references | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v7 | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v8 |
| ef:activity/change/20260821T1554374006150000/245841 | skos_definition | ef:agent/enrich_references | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v8 | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v9 |
| ef:activity/change/20260821T1554374006150000/245842 | references | ef:agent/enrich_references | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v9 | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v10 |
| ef:activity/change/20260821T1554374006150000/253694 | properties | ef:agent/rdkit_pre_consensus | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v10 | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v11 |
| ef:activity/change/20260821T1554374006150000/269816 | altLabel | ef:agent/consensus_match | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v11 | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v12 |
| ef:activity/change/20260821T1554374006150000/269817 | cas_match_labels | ef:agent/consensus_match | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v12 | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v13 |
| ef:activity/change/20260821T1554374006150000/278907 | properties | ef:agent/opsin_iupac | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v13 | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v14 |
| ef:activity/change/20260821T1554374006150000/285715 | properties | ef:agent/rdkit_post_consensus | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v14 | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v15 |
| ef:activity/change/20260821T1554374006150000/286696 | properties | ef:agent/withhold_contradicted_composition | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v15 | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v16 |
| ef:activity/change/20260821T1554374006150000/291275 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v16 | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v17 |
| ef:activity/change/20260821T1554374006150000/338162 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v17 | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v18 |
| ef:activity/change/20260821T1554374006150000/393287 | properties | ef:agent/normalise_property_values | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v18 | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v19 |
| ef:activity/change/20260821T1554374006150000/402171 | types | ef:agent/link_flows_to_their_substance | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v19 | ef:flow/6c606c2e-20ba-4a2b-9577-ec7be48f8001/v20 |