Zirconium Tetranitrate
Everything that changed this flow. Back to the flow
d3cccc85-fb53-4c7a-9723-a545eba6eb41
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 6 candidate structures, so no one mass describes 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=zirconiumtetranitrate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'13746-89-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2603ccb881f2f2b8: {'13746-89-9': '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 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=['13746-89-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[26251, 11506893, 20165437, 25022303, 73555521, 101614912, 131675429]; selected_pubchem_cids=[26251, 20165437, 25022303, 73555521, 101614912, 131675429]; 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 |
|---|---|---|---|---|---|
| 5,686 | bootstrap_labels | prefLabel | — | [{"@value":"zirconium tetranitrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Bootstrapped prefLabel from legacy name field |
| 5,687 | bootstrap_labels | name | zirconium tetranitrate | — | Purged legacy name field to enforce prefLabel usage |
| 5,688 | bootstrap_labels | synonyms | ["inorganic","zirconiumtetranitrate"] | [] | Removed legacy synonyms field in favor of structured labels |
| 175,238 | 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 |
| 175,239 | 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 |
| 215,238 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 222,408 | normalize_name_case | prefLabel | [{"@value":"zirconium tetranitrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | [{"@value":"Zirconium Tetranitrate","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttrib… | Title-cased words without internal capitals (preserved words with uppercase letters beyond the first character) |
| 232,652 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["H10N4O17Zr… | Added ChEBI/PubChem properties (chebi_ids=0, pubchem_cids=6) |
| 232,653 | enrich_references | skos_definition | — | [] | Merged ChEBI/PubChem definitions into skos:definition |
| 232,654 | enrich_references | references | [] | [{"@id":"https://chem.echa.europa.eu/100.033.917","provenance":{"prov:wasGeneratedBy":"enrich_references.pubchem_identi… | Added references with provenance; cas_numbers=['13746-89-9']; matched_chebi_ids=[]; candidate_pubchem_cids=[26251, 11506893, 20165437, 25022303, 73555521, 101614912, 131675429]; selected_pubchem_cids=[26251, 20165437, 25022303, 73555521, 101614912, 131675429]; 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 |
| 249,891 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["H10N4O17Zr… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["H10N4O17Zr… | rdkit_pre_consensus from '[N+](=O)(O)[O-].[N+](=O)(O)[O-].[N+](=O)(O)[O-].[N+](=O)(O)[O-].[Zr+4]'; added: molecular_mass, monoisotopic_mass |
| 273,376 | consensus_match | altLabel | [] | [{"@value":"Nitric acid, zirconium(4+) salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:w… | group_key=zirconiumtetranitrate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); cas=13746-89-9; added Common Chemistry CAS names as altLabel: Nitric acid, zirconium(4+) salt, Nitric acid, zirconium(4+) salt (4:1), Tetranitratozirconium, Zirconium nitrate, Zirconium nitrate (Zr(NO<sub>3</sub>)<sub>4</sub>), Zirconium(IV) nitrate; object_uuid=fo-2603ccb881f2f2b8 |
| 273,377 | consensus_match | cas_match_labels | — | {"13746-89-9":"exactMatch"} | group_key=zirconiumtetranitrate||dimension=Environmental > media=Air > strata=Medium stack, <150 meters > population_density=Rural (<1000 people/square mile); group_sources=['ec_inventory', 'pubchem']; cas_sources={'13746-89-9': ['ec_inventory', 'pubchem']}; assigned CAS labels from group consensus; object_uuid=fo-2603ccb881f2f2b8: {'13746-89-9': 'exactMatch'} |
| 275,027 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["H10N4O17Zr… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["H10N4O17Zr… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from 'Zirconium Tetranitrate' |
| 281,517 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["H10N4O17Zr… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["H10N4O17Zr… | rdkit_post_consensus from 'O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].O=[N+]([O-])[O-].[Zr+4]'; added: molecular_mass, monoisotopic_mass; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula |
| 286,837 | withhold_ambiguous_mass | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["H10N4O17Zr… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["H10N4O17Zr… | withhold_ambiguous_mass: removed molecular_mass, monoisotopic_mass; the flow carries 6 candidate structures, so no one mass describes it |
| 292,280 | dedupe_altlabels | altLabel | [{"@value":"Nitric acid, zirconium(4+) salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:w… | [{"@value":"Nitric acid, zirconium(4+) salt","@language":"en","source":{"prov:wasGeneratedBy":"consensus_match","prov:w… | Deduplicated altLabel values and removed entries matching prefLabel |
| 368,643 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/d3cccc85-fb53-… | associations resolved on the elementary layer |
| 396,437 | 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/20260821T1302361922970000/5686 | prefLabel | ef:agent/bootstrap_labels | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v0 | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v1 |
| ef:activity/change/20260821T1302361922970000/5687 | name | ef:agent/bootstrap_labels | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v1 | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v2 |
| ef:activity/change/20260821T1302361922970000/5688 | synonyms | ef:agent/bootstrap_labels | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v2 | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v3 |
| ef:activity/change/20260821T1302361922970000/175238 | context | ef:agent/default_context_mapping | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v3 | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v4 |
| ef:activity/change/20260821T1302361922970000/175239 | context_iri | ef:agent/default_context_mapping | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v4 | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v5 |
| ef:activity/change/20260821T1302361922970000/215238 | unit_iri | ef:agent/unit_normalization | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v5 | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v6 |
| ef:activity/change/20260821T1302361922970000/222408 | prefLabel | ef:agent/normalize_name_case | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v6 | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v7 |
| ef:activity/change/20260821T1302361922970000/232652 | properties | ef:agent/enrich_references | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v7 | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v8 |
| ef:activity/change/20260821T1302361922970000/232653 | skos_definition | ef:agent/enrich_references | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v8 | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v9 |
| ef:activity/change/20260821T1302361922970000/232654 | references | ef:agent/enrich_references | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v9 | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v10 |
| ef:activity/change/20260821T1302361922970000/249891 | properties | ef:agent/rdkit_pre_consensus | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v10 | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v11 |
| ef:activity/change/20260821T1302361922970000/273376 | altLabel | ef:agent/consensus_match | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v11 | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v12 |
| ef:activity/change/20260821T1302361922970000/273377 | cas_match_labels | ef:agent/consensus_match | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v12 | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v13 |
| ef:activity/change/20260821T1302361922970000/275027 | properties | ef:agent/opsin_iupac | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v13 | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v14 |
| ef:activity/change/20260821T1302361922970000/281517 | properties | ef:agent/rdkit_post_consensus | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v14 | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v15 |
| ef:activity/change/20260821T1302361922970000/286837 | properties | ef:agent/withhold_ambiguous_mass | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v15 | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v16 |
| ef:activity/change/20260821T1302361922970000/292280 | altLabel | ef:agent/dedupe_altlabels | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v16 | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v17 |
| ef:activity/change/20260821T1302361922970000/368643 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v17 | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v18 |
| ef:activity/change/20260821T1302361922970000/396437 | types | ef:agent/link_flows_to_their_substance | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v18 | ef:flow/d3cccc85-fb53-4c7a-9723-a545eba6eb41/v19 |