RDX
Everything that changed this flow. Back to the flow
fe0acd60-3ddc-11dd-aef8-0050c2490048
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 | 3 | chebi_altlabels, consensus_match, strip_catalogue_altlabels | Removed 23 catalogue altLabel value(s): 'A 3' (grade code), 'A 3 (explosive)' (grade code), 'CH 6' (grade code), 'CH 6 (explosive)' (grade code), 'CPX 301' (grade code), 'CX 84A' (grade code), 'NSC 312447' (registry code), 'PBX 9407' (grade code), 'PBXC 116' (grade code), 'PBXN 107' (grade code), 'PBXN 107A' (grade code), 'PBXN 108' (grade code), 'PBXN 201' (grade code), 'PBXN 6' (grade code), 'PBXN 8' (grade code), 'PBXW 108(E)' (grade code), 'PE 4' (grade code), 'PE 4 (explosive)' (grade code), 'PHX 34' (grade code), 'PMW 8' (grade code), and 3 more |
| cas_match_labels | 1 | consensus_match | group_key=rdx||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'121-82-4': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-003bd189705e0e06: {'121-82-4': '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 non-urban air or from high stacks |
| context_iri | 1 | default_context_mapping | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| name | 1 | bootstrap_labels | Purged legacy name field to enforce prefLabel usage |
| prefLabel | 1 | bootstrap_labels | Bootstrapped prefLabel from legacy name field |
| references | 1 | enrich_references | Added references with provenance; cas_numbers=['121-82-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_24556']; candidate_pubchem_cids=[8490]; selected_pubchem_cids=[8490]; 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 |
|---|---|---|---|---|---|
| 14,366 | bootstrap_labels | prefLabel | — | [{"@value":"RDX","@language":"en","source":{"prov:wasGeneratedBy":"bootstrap_labels","prov:wasAttributedTo":"consensus-… | Bootstrapped prefLabel from legacy name field |
| 14,367 | bootstrap_labels | name | RDX | — | Purged legacy name field to enforce prefLabel usage |
| 22,631 | bootstrap_labels | synonyms | ["1,3,5-Triaza-1,3,5-trinitrocyclohexane","1,3,5-Triazine, hexahydro-1,3,5-trinitro-","1,3,5-Trinitro-1,3,5-triazacyclo… | [] | Removed legacy synonyms field in favor of structured labels |
| 210,711 | default_context_mapping | context | — | {"dimension":"Environmental","media":"Air","strata":"Medium stack, <150 meters","population_density":"Rural (<1000 peop… | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 210,712 | default_context_mapping | context_iri | — | https://vocab.brightway.one/flow-contexts/envi-air-mest15me-ru10pesq | Mapped from context mapping for source=EF 3.1, source context Emissions > Emissions to air > Emissions to non-urban air or from high stacks |
| 218,086 | unit_normalization | unit_iri | — | https://vocab.brightway.one/units/unit/KiloGM | Unit IRI set from normalization of 'kg' |
| 240,789 | enrich_references | properties | {} | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6N6O6"]… | Added ChEBI/PubChem properties (chebi_ids=1, pubchem_cids=1) |
| 240,790 | enrich_references | skos_definition | — | [{"@value":"An N-nitro compound that is 1,3,5-triazinane in which all three of the hydrogens attached to the nitrogens… | Merged ChEBI/PubChem definitions into skos:definition |
| 240,791 | enrich_references | references | [] | [{"@id":"gmelin:985564","provenance":{"prov:wasGeneratedBy":"enrich_references.chebi_xrefs","prov:wasAttributedTo":"con… | Added references with provenance; cas_numbers=['121-82-4']; matched_chebi_ids=['http://purl.obolibrary.org/obo/CHEBI_24556']; candidate_pubchem_cids=[8490]; selected_pubchem_cids=[8490]; 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 |
| 252,240 | rdkit_pre_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6N6O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6N6O6"]… | rdkit_pre_consensus from 'C1N(CN(CN1[N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-]'; added: monoisotopic_mass |
| 256,317 | chebi_altlabels | altLabel | [] | [{"@value":"1,3,5-trinitro-1,3,5-triazacyclohexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels",… | Added 11 ChEBI synonym(s) as altLabel from 1 linked ChEBI record(s) |
| 271,299 | consensus_match | altLabel | [{"@value":"1,3,5-trinitro-1,3,5-triazacyclohexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels",… | [{"@value":"1,3,5-trinitro-1,3,5-triazacyclohexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels",… | group_key=rdx||dimension=Environmental > media=Air > indoor=Unknown; cas=121-82-4; added Common Chemistry CAS names as altLabel: 1,3,5-Triaza-1,3,5-trinitrocyclohexane, 1,3,5-Triazine, hexahydro-1,3,5-trinitro-, 1,3,5-Trinitroperhydro-1,3,5-triazine, <em>s</em>-Triazine, hexahydro-1,3,5-trinitro-, A 3, A 3 (explosive), A-IX 1, A-IX 2, CH 6, CH 6 (explosive), CPX 301, CX 84A, Composition A 3, Cyclotrimethylenenitramine, Giekfol, Heksoflen, Hexahydro-1,3,5-trinitro-1,3,5-<em>s</em>-triazine, Hexahydro-1,3,5-trinitro-<em>s</em>-triazine, Hexogen (explosive), Hexogen 5W, Hexomax, NSC 312447, PBX 9407, PBX(AF) 108, PBX-B 2238, PBX-C 117, PBX-L 3, PBX-L 5, PBX-MC, PBX-MVF, PBX-W 108, PBXC 116, PBXN 107, PBXN 107A, PBXN 108, PBXN 201, PBXN 6, PBXN 8, PBXN(AF) 108, PBXW 108(E), PE 4, PE 4 (explosive), PHX 34, PMW 8, Propellant TS 1, T<sub>4</sub>, TS 1 (propellant), Trimethylenetrinitramine, V 29, V 29 (propellant); object_uuid=fo-003bd189705e0e06 |
| 271,300 | consensus_match | cas_match_labels | — | {"121-82-4":"exactMatch"} | group_key=rdx||dimension=Environmental > media=Air > indoor=Unknown; group_sources=['chebi', 'ec_inventory']; cas_sources={'121-82-4': ['chebi', 'ec_inventory']}; assigned CAS labels from group consensus; object_uuid=fo-003bd189705e0e06: {'121-82-4': 'exactMatch'} |
| 277,434 | opsin_iupac | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6N6O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6N6O6"]… | opsin_iupac: set authoritative IUPAC name, SMILES, InChI from '1,3,5-trinitro-1,3,5-triazacyclohexane' |
| 284,118 | rdkit_post_consensus | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6N6O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6N6O6"]… | rdkit_post_consensus from 'O=[N+]([O-])N1CN([N+](=O)[O-])CN([N+](=O)[O-])C1'; confirmed: smiles_string, inchi2d_string, inchi2d_key_string, molecular_formula, molecular_mass, monoisotopic_mass |
| 290,212 | strip_catalogue_altlabels | altLabel | [{"@value":"1,3,5-trinitro-1,3,5-triazacyclohexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels",… | [{"@value":"1,3,5-trinitro-1,3,5-triazacyclohexane","@language":"en","source":{"prov:wasGeneratedBy":"chebi_altlabels",… | Removed 23 catalogue altLabel value(s): 'A 3' (grade code), 'A 3 (explosive)' (grade code), 'CH 6' (grade code), 'CH 6 (explosive)' (grade code), 'CPX 301' (grade code), 'CX 84A' (grade code), 'NSC 312447' (registry code), 'PBX 9407' (grade code), 'PBXC 116' (grade code), 'PBXN 107' (grade code), 'PBXN 107A' (grade code), 'PBXN 108' (grade code), 'PBXN 201' (grade code), 'PBXN 6' (grade code), 'PBXN 8' (grade code), 'PBXW 108(E)' (grade code), 'PE 4' (grade code), 'PE 4 (explosive)' (grade code), 'PHX 34' (grade code), 'PMW 8' (grade code), and 3 more |
| 386,427 | carry_associations_onto_flows | concept_associations | [] | [{"@type":"xkos:ConceptAssociation","xkos:sourceConcept":{"@id":"https://vocab.brightway.one/ef/3.1/flow/fe0acd60-3ddc-… | associations resolved on the elementary layer |
| 391,813 | normalise_property_values | properties | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6N6O6"]… | {"https://w3id.org/chemrof/molecular_formula":{"@id":"https://w3id.org/chemrof/molecular_formula","@value":["C3H6N6O6"]… | typed the way the ontology types it |
| 399,998 | link_flows_to_their_substance | types | — | ["https://w3id.org/chemrof/NeutralMolecule"] | 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/20260920T1042228874600000/14366 | prefLabel | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v0 | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v1 |
| ef:activity/change/20260920T1042228874600000/14367 | name | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v1 | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v2 |
| ef:activity/change/20260920T1042228874600000/22631 | synonyms | ef:agent/bootstrap_labels | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v2 | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v3 |
| ef:activity/change/20260920T1042228874600000/210711 | context | ef:agent/default_context_mapping | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v3 | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v4 |
| ef:activity/change/20260920T1042228874600000/210712 | context_iri | ef:agent/default_context_mapping | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v4 | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v5 |
| ef:activity/change/20260920T1042228874600000/218086 | unit_iri | ef:agent/unit_normalization | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v5 | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v6 |
| ef:activity/change/20260920T1042228874600000/240789 | properties | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v6 | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v7 |
| ef:activity/change/20260920T1042228874600000/240790 | skos_definition | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v7 | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v8 |
| ef:activity/change/20260920T1042228874600000/240791 | references | ef:agent/enrich_references | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v8 | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v9 |
| ef:activity/change/20260920T1042228874600000/252240 | properties | ef:agent/rdkit_pre_consensus | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v9 | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v10 |
| ef:activity/change/20260920T1042228874600000/256317 | altLabel | ef:agent/chebi_altlabels | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v10 | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v11 |
| ef:activity/change/20260920T1042228874600000/271299 | altLabel | ef:agent/consensus_match | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v11 | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v12 |
| ef:activity/change/20260920T1042228874600000/271300 | cas_match_labels | ef:agent/consensus_match | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v12 | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v13 |
| ef:activity/change/20260920T1042228874600000/277434 | properties | ef:agent/opsin_iupac | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v13 | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v14 |
| ef:activity/change/20260920T1042228874600000/284118 | properties | ef:agent/rdkit_post_consensus | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v14 | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v15 |
| ef:activity/change/20260920T1042228874600000/290212 | altLabel | ef:agent/strip_catalogue_altlabels | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v15 | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v16 |
| ef:activity/change/20260920T1042228874600000/386427 | concept_associations | ef:agent/carry_associations_onto_flows | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v16 | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v17 |
| ef:activity/change/20260920T1042228874600000/391813 | properties | ef:agent/normalise_property_values | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v17 | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v18 |
| ef:activity/change/20260920T1042228874600000/399998 | types | ef:agent/link_flows_to_their_substance | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v18 | ef:flow/fe0acd60-3ddc-11dd-aef8-0050c2490048/v19 |