# Vercy AI instruction - YAML 1.2 (JSON-compatible) { "vercy": "1.0-draft", "publication": { "status": "published", "adjudicationStatus": "reviewable-draft", "publishableCanonical": false, "generatedAt": "2026-10-06T21:28:28Z", "synthesisSha256": "dbe2a90d89f1c2d0bd49a2beeea60467f6fcba46e87f85e0254b6a4162531efd", "providerMode": "single-provider-waiver", "providers": [ "Codex" ], "waivedProviders": [ "Claude", "Grok" ] }, "metaModel": { "id": "WM-MAT-001", "registryId": "vr.wm-mat-001", "name": "Chemical Substance", "version": "0.3.0-reviewable-draft", "previousVersions": [ { "version": "0.2.0-legacy", "url": "/models/world-m1-material-and-substance/" } ], "entryKind": "entity", "family": "World Models", "category": "Physical world and living systems", "industry": [ "Cross-industry" ], "domain": [ "PHY.MAT.CHEM" ], "tags": [ "chemical", "substance", "phy.mat.chem" ], "status": "published" }, "canonicalUrl": "https://ver.cy/models/wm-mat-001-chemical-substance/", "sourceUrl": "https://github.com/ver-cy/world-models/tree/feat/mega-model-registry/research/runs/wm-mat-001", "model": { "registry_id": "vr.wm-mat-001", "model_id": "WM-MAT-001", "name": "Chemical Substance", "entry_kind": "entity", "purpose": "Describe one governed chemical substance identity with qualified composition, property assertions and traceable evidence references.", "scope_statement": "An instance is a persistent substance identity record for a kind of matter, not a molecule token, inventory lot or universal registry. It declares whether its identity basis is a defined chemical entity or a jurisdiction-qualified substance grouping. All physical and regulatory assertions carry applicability and evidence; uncertain sameness remains unresolved.", "in_scope": [ "Master identity, names, external identifier assignments and explicit sameness criteria", "Composition envelope, chemical representations and form-qualified property assertions", "Recognition evidence, safety-profile references, occurrence links and governed record continuity" ], "out_of_scope": [ "Engineered material grades and mixture recipes; lot quantities, custody, storage and transport operations", "Laboratory execution, raw measurement masters, hazard classification engines and regulatory submissions", "Manufacture, synthesis routes, dosing, reaction execution, weapons or controlled-item operational guidance", "A single worldwide source of truth, automatic equivalence of registry codes, executable instance schemas or compliance certification" ], "boundary_notes": [ { "neighbor": "WM-MAT-002 Engineered Material", "distinction": "Material grades and engineering performance are separately mastered. This record supplies only a substance reference, not the whole legacy material domain.", "source_refs": [ "SRC-001", "SRC-003" ] }, { "neighbor": "WM-MAT-003 Mixture / Formulation", "distinction": "A formulation deliberately combines substance references. A regulatory multi-constituent or UVCB identity is not automatically a formulation and needs its own stated identity basis.", "source_refs": [ "SRC-002", "SRC-003" ] }, { "neighbor": "WM-MAT-004 Material Batch / Lot", "distinction": "Physical quantity, holder, stock status, movement and storage location belong to the lot. The substance record identifies a kind of matter, not one bounded quantity.", "source_refs": [ "SRC-001", "SRC-005" ] }, { "neighbor": "WM-MAT-005 Lab Sample / Specimen", "distinction": "Sample identity and custody remain external. Sample evidence supports a scoped substance assertion without proving every occurrence is identical.", "source_refs": [ "SRC-003", "SRC-006" ] }, { "neighbor": "WM-MAT-006 Hazardous-material profile", "distinction": "Classification decisions, operational controls and hazard-profile lifecycle remain external. This model records applicability-qualified references and unresolved warnings only.", "source_refs": [ "SRC-007" ] }, { "neighbor": "WM-MAT-007 Laboratory Test / Analysis", "distinction": "Test procedure, execution and laboratory workflow remain external; only evidence links and their interpretation for identity or properties belong here.", "source_refs": [ "SRC-003", "SRC-006" ] }, { "neighbor": "WM-MAT-008 Observation / Measurement Record", "distinction": "Raw observations and measurement lifecycle remain external. Substance-level selected assertions retain the observation reference and conditions.", "source_refs": [ "SRC-005", "SRC-006", "SRC-008" ] } ] }, "sources": [ { "id": "SRC-001", "title": "Chemical substance", "organization": "International Union of Pure and Applied Chemistry", "url": "https://goldbook.iupac.org/terms/view/C01039/plain", "version_or_date": "Gold Book term C01039; indexed fifth-edition entry accessed 2026-10-07", "source_type": "scientific", "primary_source": true, "authority_tier": 1, "accessed_at": "2026-10-06T21:26:57Z", "relevance": "Constant-composition terminology supplies the scientific starting point. Indexed official text only; direct browser opening returned 403. It does not settle regulatory substance grouping." }, { "id": "SRC-002", "title": "What is a substance?", "organization": "European Chemicals Agency", "url": "https://echa.europa.eu/support/substance-identification/what-is-a-substance", "version_or_date": "Undated official guidance page; indexed text accessed 2026-10-07", "source_type": "public-authority", "primary_source": true, "authority_tier": 1, "accessed_at": "2026-10-06T21:26:57Z", "relevance": "REACH-oriented mono-constituent, multi-constituent and UVCB categories demonstrate that a regulatory substance need not be one molecular structure. Indexed text only; full opening returned 403. No universal thresholds are adopted." }, { "id": "SRC-003", "title": "How to characterise and identify your substance", "organization": "European Chemicals Agency", "url": "https://echa.europa.eu/en/support/substance-identification/how-to-characterise-and-identify-your-substance", "version_or_date": "Undated official guidance page; indexed text accessed 2026-10-07", "source_type": "public-authority", "primary_source": true, "authority_tier": 1, "accessed_at": "2026-10-06T21:26:57Z", "relevance": "Names, identifiers, applicable formulae, composition, purity and evaluated analytical evidence support identification. Indexed official text available; full browser opening failed. Requirements remain jurisdiction-specific." }, { "id": "SRC-004", "title": "InChI, the IUPAC International Chemical Identifier", "organization": "InChI project authors", "url": "https://pmc.ncbi.nlm.nih.gov/articles/PMC4486400/", "version_or_date": "Heller et al., Journal of Cheminformatics 7:23, 2015; DOI 10.1186/s13321-015-0068-4", "source_type": "scientific", "primary_source": true, "authority_tier": 1, "accessed_at": "2026-10-06T21:26:57Z", "relevance": "Primary technical paper on identifier layers, normalization, stereochemistry, isotopes and hashing. Historical implementation limitations require a currently pinned implementation before use; no claim that the 2015 limitation list describes all 2026 software." }, { "id": "SRC-005", "title": "A Guide to the NIST Chemistry WebBook", "organization": "National Institute of Standards and Technology", "url": "https://webbook.nist.gov/chemistry/guide/", "version_or_date": "Undated guide accessed 2026-10-07; sections on data types and literature references", "source_type": "first-party-doc", "primary_source": true, "authority_tier": 1, "accessed_at": "2026-10-06T21:26:57Z", "relevance": "Phase-qualified property values, conditions, spectra and underlying citations support property and recognition references. The guide is not an independent validation of any particular substance value." }, { "id": "SRC-006", "title": "OECD Harmonised Templates", "organization": "Organisation for Economic Co-operation and Development", "url": "https://www.oecd.org/en/topics/sub-issues/assessment-of-chemicals/harmonised-templates.html", "version_or_date": "Overview accessed 2026-10-07; individual template and XSD releases not pinned", "source_type": "schema", "primary_source": true, "authority_tier": 1, "accessed_at": "2026-10-06T21:26:57Z", "relevance": "Study and endpoint summaries, physical properties and use/exposure reporting support evidence links and exchange profiles. Templates are explicitly not universal data requirements; no template conformance is claimed." }, { "id": "SRC-007", "title": "29 CFR 1910.1200 Appendix D - Safety Data Sheets", "organization": "Occupational Safety and Health Administration", "url": "https://www.osha.gov/laws-regs/regulations/standardnumber/1910/1910.1200AppD", "version_or_date": "Official displayed Appendix D accessed 2026-10-07; effective applicability not independently verified", "source_type": "legislation", "primary_source": true, "authority_tier": 1, "accessed_at": "2026-10-06T21:26:57Z", "relevance": "US workplace example separating identification, ingredients, physical properties, reactivity, hazard and revision information. Used to design qualified safety-document links only, not to generate an SDS or authorize handling." }, { "id": "SRC-008", "title": "PROV-O: The PROV Ontology", "organization": "World Wide Web Consortium", "url": "https://www.w3.org/TR/prov-o/", "version_or_date": "W3C Recommendation 2013-04-30", "source_type": "ontology", "primary_source": true, "authority_tier": 1, "accessed_at": "2026-10-06T21:26:57Z", "relevance": "Entities, activities, agents, attribution, derivation and revision support assertion lineage. Provenance does not establish chemical identity, scientific validity or access authority." }, { "id": "SRC-009", "title": "Date and Time on the Internet: Timestamps", "organization": "Internet Engineering Task Force", "url": "https://www.rfc-editor.org/rfc/rfc3339.html", "version_or_date": "RFC 3339, July 2002, section 5.6", "source_type": "standard", "primary_source": true, "authority_tier": 1, "accessed_at": "2026-10-06T21:26:57Z", "relevance": "Timestamp syntax supplies seconds and explicit offsets. Date-only source precision and unknown event time must not be fabricated into exact instants." } ], "structure": { "bundles": [ { "id": "bundle-identity", "name": "Identity and designation", "description": "Identity basis and Names and identifier assignments.", "rationale": "Authored subject-model grouping supported by the cited concepts; no external source mandates this hierarchy.", "source_refs": [ "SRC-001", "SRC-002", "SRC-003", "SRC-004", "SRC-008" ], "layers": [ { "id": "layer-basis", "name": "Identity basis", "description": "A record must state its identity basis. Scientific chemical-entity identity and regulatory grouping are distinguishable profiles; the latter never silently asserts a unique molecular graph.", "source_refs": [ "SRC-001", "SRC-002", "SRC-003" ], "findings": [ { "id": "finding-basis", "name": "Declared substance boundary", "description": "A record must state its identity basis. Scientific chemical-entity identity and regulatory grouping are distinguishable profiles; the latter never silently asserts a unique molecular graph.", "source_refs": [ "SRC-001", "SRC-002", "SRC-003" ], "questions": [ { "id": "q-basis-1", "text": "What identity basis determines the subject of this substance record?", "kind": "definition", "answer_data": [ "identity_basis, scientific_or_regulatory_profile, scope, defining_evidence", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] }, { "id": "q-basis-2", "text": "Which substance category is asserted under which classification profile?", "kind": "classification", "answer_data": [ "category_code, scheme, edition, jurisdiction, applicability, unknown_reason", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] }, { "id": "q-basis-3", "text": "What distinctions would require a separate identity rather than a revision of this record?", "kind": "validation", "answer_data": [ "sameness_criteria, excluded_variants, reviewer, decision_basis, unresolved_cases", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] } ], "data_elements": [ { "id": "data-basis-1", "name": "Identity basis answer group 1", "description": "Candidate field group: identity_basis, scientific_or_regulatory_profile, scope, defining_evidence. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-001", "SRC-002", "SRC-003" ] }, { "id": "data-basis-2", "name": "Identity basis answer group 2", "description": "Candidate field group: category_code, scheme, edition, jurisdiction, applicability, unknown_reason. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-001", "SRC-002", "SRC-003" ] }, { "id": "data-basis-3", "name": "Identity basis answer group 3", "description": "Candidate field group: sameness_criteria, excluded_variants, reviewer, decision_basis, unresolved_cases. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-001", "SRC-002", "SRC-003" ] } ], "artifacts": [ { "id": "artifact-basis", "name": "Identity boundary assessment", "description": "Versioned local assertions and qualified references; external source masters remain authoritative for their own records.", "media_or_form": [ "structured register", "authorized human-readable projection" ], "serial": true, "identity_strategy": "Authoritative master-system namespace and ID plus revision first; governed IRI next; otherwise local UUID with reconciliation status. Entry IDs are opaque and contain no substance stock locations.", "source_refs": [ "SRC-001", "SRC-002", "SRC-003" ] } ], "inline_only_rationale": null } ] }, { "id": "layer-identifiers", "name": "Names and identifier assignments", "description": "Names and registry assignments are source-scoped assertions. A matching synonym, formula or identifier lookup is evidence for review rather than an automatic merge.", "source_refs": [ "SRC-003", "SRC-004", "SRC-008" ], "findings": [ { "id": "finding-identifiers", "name": "Qualified names and identifiers", "description": "Names and registry assignments are source-scoped assertions. A matching synonym, formula or identifier lookup is evidence for review rather than an automatic merge.", "source_refs": [ "SRC-003", "SRC-004", "SRC-008" ], "questions": [ { "id": "q-identifiers-1", "text": "Which master namespace and identifier persist across local revisions?", "kind": "identity", "answer_data": [ "master_namespace, master_id, local_id, reconciliation_status", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] }, { "id": "q-identifiers-2", "text": "Who assigned each external identifier or name and to which stated substance scope?", "kind": "provenance", "answer_data": [ "scheme, code_or_name, language, issuer_ref, assignment_evidence, subject_scope", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] }, { "id": "q-identifiers-3", "text": "How are ambiguous names and conflicting identifier assignments represented without merging subjects?", "kind": "exception", "answer_data": [ "candidate_refs, conflict_status, retired_assignment, resolver_decision, rationale", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] } ], "data_elements": [ { "id": "data-identifiers-1", "name": "Names and identifier assignments answer group 1", "description": "Candidate field group: master_namespace, master_id, local_id, reconciliation_status. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-003", "SRC-004", "SRC-008" ] }, { "id": "data-identifiers-2", "name": "Names and identifier assignments answer group 2", "description": "Candidate field group: scheme, code_or_name, language, issuer_ref, assignment_evidence, subject_scope. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-003", "SRC-004", "SRC-008" ] }, { "id": "data-identifiers-3", "name": "Names and identifier assignments answer group 3", "description": "Candidate field group: candidate_refs, conflict_status, retired_assignment, resolver_decision, rationale. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-003", "SRC-004", "SRC-008" ] } ], "artifacts": [ { "id": "artifact-identifiers", "name": "Identifier assignment register", "description": "Versioned local assertions and qualified references; external source masters remain authoritative for their own records.", "media_or_form": [ "structured register", "authorized human-readable projection" ], "serial": true, "identity_strategy": "Authoritative master-system namespace and ID plus revision first; governed IRI next; otherwise local UUID with reconciliation status. Entry IDs are opaque and contain no substance stock locations.", "source_refs": [ "SRC-003", "SRC-004", "SRC-008" ] } ], "inline_only_rationale": null } ] } ] }, { "id": "bundle-constitution", "name": "Constitution and representation", "description": "Composition envelope and Chemical representation and form.", "rationale": "Authored subject-model grouping supported by the cited concepts; no external source mandates this hierarchy.", "source_refs": [ "SRC-002", "SRC-003", "SRC-004", "SRC-005", "SRC-007" ], "layers": [ { "id": "layer-composition", "name": "Composition envelope", "description": "Record constituent roles and supported ranges at the declared identity scope. Unknown components and basis differences remain visible. Composition evidence must not become a formulation recipe or lot assay master.", "source_refs": [ "SRC-002", "SRC-003", "SRC-007" ], "findings": [ { "id": "finding-composition", "name": "Constituents and compositional uncertainty", "description": "Record constituent roles and supported ranges at the declared identity scope. Unknown components and basis differences remain visible. Composition evidence must not become a formulation recipe or lot assay master.", "source_refs": [ "SRC-002", "SRC-003", "SRC-007" ], "questions": [ { "id": "q-composition-1", "text": "Which constituents, impurities and identity-relevant additives are known within the stated envelope?", "kind": "composition", "answer_data": [ "constituent_ref, role, range_or_value, fraction_basis, units, evidence", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] }, { "id": "q-composition-2", "text": "Which compositional fractions remain unidentified, unquantified or confidential?", "kind": "quality", "answer_data": [ "unknown_fraction, detection_limit_ref, confidentiality_basis, completeness_status", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] }, { "id": "q-composition-3", "text": "Which composition variation is supported within this identity and which needs a new identity assessment?", "kind": "constraint", "answer_data": [ "profile_ref, allowed_envelope, qualification_basis, outlier_ref, assessment_status", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] } ], "data_elements": [ { "id": "data-composition-1", "name": "Composition envelope answer group 1", "description": "Candidate field group: constituent_ref, role, range_or_value, fraction_basis, units, evidence. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-002", "SRC-003", "SRC-007" ] }, { "id": "data-composition-2", "name": "Composition envelope answer group 2", "description": "Candidate field group: unknown_fraction, detection_limit_ref, confidentiality_basis, completeness_status. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-002", "SRC-003", "SRC-007" ] }, { "id": "data-composition-3", "name": "Composition envelope answer group 3", "description": "Candidate field group: profile_ref, allowed_envelope, qualification_basis, outlier_ref, assessment_status. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-002", "SRC-003", "SRC-007" ] } ], "artifacts": [ { "id": "artifact-composition", "name": "Composition envelope register", "description": "Versioned local assertions and qualified references; external source masters remain authoritative for their own records.", "media_or_form": [ "structured register", "authorized human-readable projection" ], "serial": true, "identity_strategy": "Authoritative master-system namespace and ID plus revision first; governed IRI next; otherwise local UUID with reconciliation status. Entry IDs are opaque and contain no substance stock locations.", "source_refs": [ "SRC-002", "SRC-003", "SRC-007" ] } ], "inline_only_rationale": null } ] }, { "id": "layer-representation", "name": "Chemical representation and form", "description": "Retain structure representations with generator and normalization metadata. Stereochemistry, isotope, charge, form and grouping scope cannot be discarded silently; an unavailable representation is a valid explicit state.", "source_refs": [ "SRC-004", "SRC-005" ], "findings": [ { "id": "finding-representation", "name": "Representation granularity", "description": "Retain structure representations with generator and normalization metadata. Stereochemistry, isotope, charge, form and grouping scope cannot be discarded silently; an unavailable representation is a valid explicit state.", "source_refs": [ "SRC-004", "SRC-005" ], "questions": [ { "id": "q-representation-1", "text": "Which formula and structure representations apply and how were they generated?", "kind": "interoperability", "answer_data": [ "formula_kind, representation_ref, format_version, generator_version, options, source_structure_ref", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] }, { "id": "q-representation-2", "text": "Which stereochemical, isotopic, ionic or physical-form qualifiers distinguish the asserted subject?", "kind": "state", "answer_data": [ "stereochemistry_status, isotope_scope, charge, salt_or_solvate_scope, form_ref, applicability", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] }, { "id": "q-representation-3", "text": "What representational loss or unsupported chemistry prevents a reliable identity comparison?", "kind": "exception", "answer_data": [ "unsupported_feature, missing_layer, loss_report, unresolved_equivalence, reviewer", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] } ], "data_elements": [ { "id": "data-representation-1", "name": "Chemical representation and form answer group 1", "description": "Candidate field group: formula_kind, representation_ref, format_version, generator_version, options, source_structure_ref. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-004", "SRC-005" ] }, { "id": "data-representation-2", "name": "Chemical representation and form answer group 2", "description": "Candidate field group: stereochemistry_status, isotope_scope, charge, salt_or_solvate_scope, form_ref, applicability. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-004", "SRC-005" ] }, { "id": "data-representation-3", "name": "Chemical representation and form answer group 3", "description": "Candidate field group: unsupported_feature, missing_layer, loss_report, unresolved_equivalence, reviewer. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-004", "SRC-005" ] } ], "artifacts": [ { "id": "artifact-representation", "name": "Representation and loss manifest", "description": "Versioned local assertions and qualified references; external source masters remain authoritative for their own records.", "media_or_form": [ "structured register", "authorized human-readable projection" ], "serial": true, "identity_strategy": "Authoritative master-system namespace and ID plus revision first; governed IRI next; otherwise local UUID with reconciliation status. Entry IDs are opaque and contain no substance stock locations.", "source_refs": [ "SRC-004", "SRC-005" ] } ], "inline_only_rationale": null } ] } ] }, { "id": "bundle-properties", "name": "Properties and behavior", "description": "Physical and chemical properties and Behavior and capability context.", "rationale": "Authored subject-model grouping supported by the cited concepts; no external source mandates this hierarchy.", "source_refs": [ "SRC-005", "SRC-006", "SRC-007" ], "layers": [ { "id": "layer-properties", "name": "Physical and chemical properties", "description": "Selected values are tied to the subject form and conditions. Measured, calculated and declared values remain distinct. Proposed uncertainty fields do not imply that uncertainty has been evaluated.", "source_refs": [ "SRC-005", "SRC-006" ], "findings": [ { "id": "finding-properties", "name": "Condition-qualified property assertions", "description": "Selected values are tied to the subject form and conditions. Measured, calculated and declared values remain distinct. Proposed uncertainty fields do not imply that uncertainty has been evaluated.", "source_refs": [ "SRC-005", "SRC-006" ], "questions": [ { "id": "q-properties-1", "text": "What property value or range is asserted for which form and conditions?", "kind": "measurement", "answer_data": [ "property_kind, value_or_range, units, phase, temperature, pressure, composition_scope", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] }, { "id": "q-properties-2", "text": "Which measurement or calculation supports the property and what uncertainty is reported?", "kind": "evidence", "answer_data": [ "observation_ref, method_ref, measured_calculated_declared, uncertainty_or_unknown, source_ref", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] }, { "id": "q-properties-3", "text": "Which incompatible determinations remain visible and why was a preferred value selected?", "kind": "quality", "answer_data": [ "alternative_assertions, comparability_assessment, selection_basis, assessor, unresolved_difference", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] } ], "data_elements": [ { "id": "data-properties-1", "name": "Physical and chemical properties answer group 1", "description": "Candidate field group: property_kind, value_or_range, units, phase, temperature, pressure, composition_scope. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-005", "SRC-006" ] }, { "id": "data-properties-2", "name": "Physical and chemical properties answer group 2", "description": "Candidate field group: observation_ref, method_ref, measured_calculated_declared, uncertainty_or_unknown, source_ref. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-005", "SRC-006" ] }, { "id": "data-properties-3", "name": "Physical and chemical properties answer group 3", "description": "Candidate field group: alternative_assertions, comparability_assessment, selection_basis, assessor, unresolved_difference. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-005", "SRC-006" ] } ], "artifacts": [ { "id": "artifact-properties", "name": "Property assertion register", "description": "Versioned local assertions and qualified references; external source masters remain authoritative for their own records.", "media_or_form": [ "structured register", "authorized human-readable projection" ], "serial": true, "identity_strategy": "Authoritative master-system namespace and ID plus revision first; governed IRI next; otherwise local UUID with reconciliation status. Entry IDs are opaque and contain no substance stock locations.", "source_refs": [ "SRC-005", "SRC-006" ] } ], "inline_only_rationale": null } ] }, { "id": "layer-behavior", "name": "Behavior and capability context", "description": "Behavior claims need conditions and evidence. A material role or possible behavior is not an instruction, permission or demonstrated outcome. Hazardous transformations stay at policy and reference level.", "source_refs": [ "SRC-005", "SRC-006", "SRC-007" ], "findings": [ { "id": "finding-behavior", "name": "Bounded behavior assertions", "description": "Behavior claims need conditions and evidence. A material role or possible behavior is not an instruction, permission or demonstrated outcome. Hazardous transformations stay at policy and reference level.", "source_refs": [ "SRC-005", "SRC-006", "SRC-007" ], "questions": [ { "id": "q-behavior-1", "text": "What use or material-role claim is supported and what evidence limits its applicability?", "kind": "requirement", "answer_data": [ "role_claim, use_context_ref, supporting_evidence, excluded_conditions, status", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] }, { "id": "q-behavior-2", "text": "Which stability or compatibility assessment must be consulted before relying on a behavior claim?", "kind": "constraint", "answer_data": [ "hazard_profile_ref, applicability_scope, review_state, restriction_policy_ref", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] }, { "id": "q-behavior-3", "text": "What missing or conflicting behavior evidence requires specialist review?", "kind": "decision", "answer_data": [ "evidence_gap, confidence_basis, responsible_role, escalation_ref, decision_status", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] } ], "data_elements": [ { "id": "data-behavior-1", "name": "Behavior and capability context answer group 1", "description": "Candidate field group: role_claim, use_context_ref, supporting_evidence, excluded_conditions, status. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-005", "SRC-006", "SRC-007" ] }, { "id": "data-behavior-2", "name": "Behavior and capability context answer group 2", "description": "Candidate field group: hazard_profile_ref, applicability_scope, review_state, restriction_policy_ref. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-005", "SRC-006", "SRC-007" ] }, { "id": "data-behavior-3", "name": "Behavior and capability context answer group 3", "description": "Candidate field group: evidence_gap, confidence_basis, responsible_role, escalation_ref, decision_status. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-005", "SRC-006", "SRC-007" ] } ], "artifacts": [ { "id": "artifact-behavior", "name": "Behavior applicability assessment", "description": "Versioned local assertions and qualified references; external source masters remain authoritative for their own records.", "media_or_form": [ "structured register", "authorized human-readable projection" ], "serial": true, "identity_strategy": "Authoritative master-system namespace and ID plus revision first; governed IRI next; otherwise local UUID with reconciliation status. Entry IDs are opaque and contain no substance stock locations.", "source_refs": [ "SRC-005", "SRC-006", "SRC-007" ] } ], "inline_only_rationale": null } ] } ] }, { "id": "bundle-evidence", "name": "Recognition and evidence", "description": "Recognition evidence and Evidence lineage and quality.", "rationale": "Authored subject-model grouping supported by the cited concepts; no external source mandates this hierarchy.", "source_refs": [ "SRC-003", "SRC-005", "SRC-006", "SRC-008", "SRC-009" ], "layers": [ { "id": "layer-recognition", "name": "Recognition evidence", "description": "Analytical evidence supports a scoped identity assessment. Label or appearance matching alone is insufficient under this proposed assurance policy. Methods, sample references and interpretations are preserved externally.", "source_refs": [ "SRC-003", "SRC-005", "SRC-006" ], "findings": [ { "id": "finding-recognition", "name": "Identity assessment from observations", "description": "Analytical evidence supports a scoped identity assessment. Label or appearance matching alone is insufficient under this proposed assurance policy. Methods, sample references and interpretations are preserved externally.", "source_refs": [ "SRC-003", "SRC-005", "SRC-006" ], "questions": [ { "id": "q-recognition-1", "text": "Which analytical observations support or contradict the proposed identity?", "kind": "evidence", "answer_data": [ "test_refs, spectrum_refs, interpreted_features_ref, candidate_identity, contradiction_status", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] }, { "id": "q-recognition-2", "text": "Which sample and test identities connect the evidence to this substance scope?", "kind": "relationship", "answer_data": [ "sample_ref, test_ref, observation_ref, subject_link_basis, representativeness_limits", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] }, { "id": "q-recognition-3", "text": "Who assessed the identity evidence and what unresolved alternatives remain?", "kind": "validation", "answer_data": [ "assessor_ref, assessment_method_ref, conclusion, alternatives, qualification, evidence_revision", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] } ], "data_elements": [ { "id": "data-recognition-1", "name": "Recognition evidence answer group 1", "description": "Candidate field group: test_refs, spectrum_refs, interpreted_features_ref, candidate_identity, contradiction_status. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-003", "SRC-005", "SRC-006" ] }, { "id": "data-recognition-2", "name": "Recognition evidence answer group 2", "description": "Candidate field group: sample_ref, test_ref, observation_ref, subject_link_basis, representativeness_limits. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-003", "SRC-005", "SRC-006" ] }, { "id": "data-recognition-3", "name": "Recognition evidence answer group 3", "description": "Candidate field group: assessor_ref, assessment_method_ref, conclusion, alternatives, qualification, evidence_revision. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-003", "SRC-005", "SRC-006" ] } ], "artifacts": [ { "id": "artifact-recognition", "name": "Recognition assessment index", "description": "Versioned local assertions and qualified references; external source masters remain authoritative for their own records.", "media_or_form": [ "structured register", "authorized human-readable projection" ], "serial": true, "identity_strategy": "Authoritative master-system namespace and ID plus revision first; governed IRI next; otherwise local UUID with reconciliation status. Entry IDs are opaque and contain no substance stock locations.", "source_refs": [ "SRC-003", "SRC-005", "SRC-006" ] } ], "inline_only_rationale": null } ] }, { "id": "layer-lineage", "name": "Evidence lineage and quality", "description": "Assertion attribution and derivation preserve the source chain and conflicting evidence. A digest checks bytes, not scientific truth; unavailable or withdrawn evidence remains an explicit assessment state.", "source_refs": [ "SRC-006", "SRC-008", "SRC-009" ], "findings": [ { "id": "finding-lineage", "name": "Traceable assertion assessment", "description": "Assertion attribution and derivation preserve the source chain and conflicting evidence. A digest checks bytes, not scientific truth; unavailable or withdrawn evidence remains an explicit assessment state.", "source_refs": [ "SRC-006", "SRC-008", "SRC-009" ], "questions": [ { "id": "q-lineage-1", "text": "How was a source record transformed into the local substance assertion?", "kind": "provenance", "answer_data": [ "source_entity_ref, extraction_activity, attribution_ref, transformation_version, assertion_id", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] }, { "id": "q-lineage-2", "text": "When was the evidence observed, published, assessed and ingested at its actual precision?", "kind": "temporal", "answer_data": [ "observation_time, source_publication_date, assessment_time, ingestion_time, precision, timezone", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] }, { "id": "q-lineage-3", "text": "How do correction, withdrawal or missing evidence affect the assertion status?", "kind": "quality", "answer_data": [ "evidence_status, affected_assertions, reassessment_status, contrary_evidence_refs, reviewer", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] } ], "data_elements": [ { "id": "data-lineage-1", "name": "Evidence lineage and quality answer group 1", "description": "Candidate field group: source_entity_ref, extraction_activity, attribution_ref, transformation_version, assertion_id. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-006", "SRC-008", "SRC-009" ] }, { "id": "data-lineage-2", "name": "Evidence lineage and quality answer group 2", "description": "Candidate field group: observation_time, source_publication_date, assessment_time, ingestion_time, precision, timezone. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-006", "SRC-008", "SRC-009" ] }, { "id": "data-lineage-3", "name": "Evidence lineage and quality answer group 3", "description": "Candidate field group: evidence_status, affected_assertions, reassessment_status, contrary_evidence_refs, reviewer. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-006", "SRC-008", "SRC-009" ] } ], "artifacts": [ { "id": "artifact-lineage", "name": "Assertion lineage index", "description": "Versioned local assertions and qualified references; external source masters remain authoritative for their own records.", "media_or_form": [ "structured register", "authorized human-readable projection" ], "serial": true, "identity_strategy": "Authoritative master-system namespace and ID plus revision first; governed IRI next; otherwise local UUID with reconciliation status. Entry IDs are opaque and contain no substance stock locations.", "source_refs": [ "SRC-006", "SRC-008", "SRC-009" ] } ], "inline_only_rationale": null } ] } ] }, { "id": "bundle-context", "name": "Safety and occurrence context", "description": "Safety and regulatory references and Occurrences and downstream context.", "rationale": "Authored subject-model grouping supported by the cited concepts; no external source mandates this hierarchy.", "source_refs": [ "SRC-001", "SRC-003", "SRC-006", "SRC-007", "SRC-008" ], "layers": [ { "id": "layer-safety", "name": "Safety and regulatory references", "description": "Safety documents and classifications are external references with scheme, revision and applicability. Missing data never means safe. A document link cannot authorize a use, transport action or legal compliance claim.", "source_refs": [ "SRC-007", "SRC-008" ], "findings": [ { "id": "finding-safety", "name": "Qualified external safety context", "description": "Safety documents and classifications are external references with scheme, revision and applicability. Missing data never means safe. A document link cannot authorize a use, transport action or legal compliance claim.", "source_refs": [ "SRC-007", "SRC-008" ], "questions": [ { "id": "q-safety-1", "text": "Which authority or responsible issuer supports the linked safety or regulatory assertion?", "kind": "authority", "answer_data": [ "issuer_ref, document_ref, hazard_profile_ref, scheme_version, jurisdiction, authority_basis", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] }, { "id": "q-safety-2", "text": "Which revision and applicability period govern the referenced safety information?", "kind": "temporal", "answer_data": [ "issued_revision, effective_period, superseded_ref, checked_at, applicability_status", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] }, { "id": "q-safety-3", "text": "Which policy requires escalation when safety references are missing, restricted or contradictory?", "kind": "security", "answer_data": [ "policy_ref, gap_status, conflicting_refs, responsible_role, access_route", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] } ], "data_elements": [ { "id": "data-safety-1", "name": "Safety and regulatory references answer group 1", "description": "Candidate field group: issuer_ref, document_ref, hazard_profile_ref, scheme_version, jurisdiction, authority_basis. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-007", "SRC-008" ] }, { "id": "data-safety-2", "name": "Safety and regulatory references answer group 2", "description": "Candidate field group: issued_revision, effective_period, superseded_ref, checked_at, applicability_status. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-007", "SRC-008" ] }, { "id": "data-safety-3", "name": "Safety and regulatory references answer group 3", "description": "Candidate field group: policy_ref, gap_status, conflicting_refs, responsible_role, access_route. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-007", "SRC-008" ] } ], "artifacts": [ { "id": "artifact-safety", "name": "Safety reference applicability index", "description": "Versioned local assertions and qualified references; external source masters remain authoritative for their own records.", "media_or_form": [ "structured register", "authorized human-readable projection" ], "serial": true, "identity_strategy": "Authoritative master-system namespace and ID plus revision first; governed IRI next; otherwise local UUID with reconciliation status. Entry IDs are opaque and contain no substance stock locations.", "source_refs": [ "SRC-007", "SRC-008" ] } ], "inline_only_rationale": null } ] }, { "id": "layer-occurrence", "name": "Occurrences and downstream context", "description": "Lots, samples, formulations and uses remain separately identified. A linked occurrence does not transfer its stock, custody, location or lifecycle into the substance model.", "source_refs": [ "SRC-001", "SRC-003", "SRC-006", "SRC-008" ], "findings": [ { "id": "finding-occurrence", "name": "External subject bindings", "description": "Lots, samples, formulations and uses remain separately identified. A linked occurrence does not transfer its stock, custody, location or lifecycle into the substance model.", "source_refs": [ "SRC-001", "SRC-003", "SRC-006", "SRC-008" ], "questions": [ { "id": "q-occurrence-1", "text": "Which external lots, samples or formulations claim a relationship to this substance identity?", "kind": "relationship", "answer_data": [ "target_model, target_master_ref, relation_kind, assertion_source, binding_revision", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] }, { "id": "q-occurrence-2", "text": "Where is occurrence or use context mastered when location matters to an assertion?", "kind": "spatial", "answer_data": [ "occurrence_ref, place_master_ref, relevance, access_scope, location_not_local_reason", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] }, { "id": "q-occurrence-3", "text": "What binding uncertainty prevents applying class-level evidence to a particular occurrence?", "kind": "constraint", "answer_data": [ "representativeness_limit, identity_mismatch, composition_variance, assessment_status, reviewer", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] } ], "data_elements": [ { "id": "data-occurrence-1", "name": "Occurrences and downstream context answer group 1", "description": "Candidate field group: target_model, target_master_ref, relation_kind, assertion_source, binding_revision. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-001", "SRC-003", "SRC-006", "SRC-008" ] }, { "id": "data-occurrence-2", "name": "Occurrences and downstream context answer group 2", "description": "Candidate field group: occurrence_ref, place_master_ref, relevance, access_scope, location_not_local_reason. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-001", "SRC-003", "SRC-006", "SRC-008" ] }, { "id": "data-occurrence-3", "name": "Occurrences and downstream context answer group 3", "description": "Candidate field group: representativeness_limit, identity_mismatch, composition_variance, assessment_status, reviewer. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-001", "SRC-003", "SRC-006", "SRC-008" ] } ], "artifacts": [ { "id": "artifact-occurrence", "name": "Subject binding index", "description": "Versioned local assertions and qualified references; external source masters remain authoritative for their own records.", "media_or_form": [ "structured register", "authorized human-readable projection" ], "serial": true, "identity_strategy": "Authoritative master-system namespace and ID plus revision first; governed IRI next; otherwise local UUID with reconciliation status. Entry IDs are opaque and contain no substance stock locations.", "source_refs": [ "SRC-001", "SRC-003", "SRC-006", "SRC-008" ] } ], "inline_only_rationale": null } ] } ] }, { "id": "bundle-continuity", "name": "Stewardship and exchange", "description": "Record lifecycle and stewardship and Exchange and controlled disclosure.", "rationale": "Authored subject-model grouping supported by the cited concepts; no external source mandates this hierarchy.", "source_refs": [ "SRC-004", "SRC-006", "SRC-007", "SRC-008", "SRC-009" ], "layers": [ { "id": "layer-continuity", "name": "Record lifecycle and stewardship", "description": "A record can be proposed, reviewed, superseded or retired without implying creation or destruction of matter. A correction, identity split and new chemical identity require distinct decisions.", "source_refs": [ "SRC-008", "SRC-009" ], "findings": [ { "id": "finding-continuity", "name": "Identity-preserving record change", "description": "A record can be proposed, reviewed, superseded or retired without implying creation or destruction of matter. A correction, identity split and new chemical identity require distinct decisions.", "source_refs": [ "SRC-008", "SRC-009" ], "questions": [ { "id": "q-continuity-1", "text": "Which local lifecycle state and supersession links describe this substance record?", "kind": "lifecycle", "answer_data": [ "record_state, predecessor_ref, successor_refs, retirement_reason, effective_time", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] }, { "id": "q-continuity-2", "text": "Which accountable roles may curate, review and approve this record within the adopting namespace?", "kind": "ownership", "answer_data": [ "custodian_role, reviewer_role, authority_policy_ref, delegated_scope, conflict_of_interest", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] }, { "id": "q-continuity-3", "text": "What evidenced change requires reassessment of dependent assertions and bindings?", "kind": "event", "answer_data": [ "change_event_ref, affected_revision, correction_or_split, dependent_refs, reassessment_status", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] } ], "data_elements": [ { "id": "data-continuity-1", "name": "Record lifecycle and stewardship answer group 1", "description": "Candidate field group: record_state, predecessor_ref, successor_refs, retirement_reason, effective_time. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-008", "SRC-009" ] }, { "id": "data-continuity-2", "name": "Record lifecycle and stewardship answer group 2", "description": "Candidate field group: custodian_role, reviewer_role, authority_policy_ref, delegated_scope, conflict_of_interest. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-008", "SRC-009" ] }, { "id": "data-continuity-3", "name": "Record lifecycle and stewardship answer group 3", "description": "Candidate field group: change_event_ref, affected_revision, correction_or_split, dependent_refs, reassessment_status. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-008", "SRC-009" ] } ], "artifacts": [ { "id": "artifact-continuity", "name": "Record revision decision log", "description": "Versioned local assertions and qualified references; external source masters remain authoritative for their own records.", "media_or_form": [ "structured register", "authorized human-readable projection" ], "serial": true, "identity_strategy": "Authoritative master-system namespace and ID plus revision first; governed IRI next; otherwise local UUID with reconciliation status. Entry IDs are opaque and contain no substance stock locations.", "source_refs": [ "SRC-008", "SRC-009" ] } ], "inline_only_rationale": null } ] }, { "id": "layer-exchange", "name": "Exchange and controlled disclosure", "description": "Exports preserve scope and evidence qualifiers. Access and retention are adopting-profile decisions; source licensing and mandatory safety access need review. A research field group is not an executable instance schema.", "source_refs": [ "SRC-004", "SRC-006", "SRC-007", "SRC-008" ], "findings": [ { "id": "finding-exchange", "name": "Qualified projection and retention", "description": "Exports preserve scope and evidence qualifiers. Access and retention are adopting-profile decisions; source licensing and mandatory safety access need review. A research field group is not an executable instance schema.", "source_refs": [ "SRC-004", "SRC-006", "SRC-007", "SRC-008" ], "questions": [ { "id": "q-exchange-1", "text": "Which pinned mapping can represent this substance scope without silently losing qualifiers?", "kind": "interoperability", "answer_data": [ "target_profile, mapping_version, representation_versions, loss_report, conformance_status", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] }, { "id": "q-exchange-2", "text": "Which recipient may receive each evidence or composition view under the applicable policy?", "kind": "access", "answer_data": [ "recipient_role, permitted_scope, confidentiality_basis, safety_access_exception, approval_ref", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] }, { "id": "q-exchange-3", "text": "Which retention, correction and disposal rules govern local records while preserving lawful reference continuity?", "kind": "retention", "answer_data": [ "retention_policy_ref, hold_ref, disposition_authority, payload_action, minimal_tombstone, review_date", "Include assertion status and explicit unknown, withheld or not-applicable reason." ] } ], "data_elements": [ { "id": "data-exchange-1", "name": "Exchange and controlled disclosure answer group 1", "description": "Candidate field group: target_profile, mapping_version, representation_versions, loss_report, conformance_status. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-004", "SRC-006", "SRC-007", "SRC-008" ] }, { "id": "data-exchange-2", "name": "Exchange and controlled disclosure answer group 2", "description": "Candidate field group: recipient_role, permitted_scope, confidentiality_basis, safety_access_exception, approval_ref. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-004", "SRC-006", "SRC-007", "SRC-008" ] }, { "id": "data-exchange-3", "name": "Exchange and controlled disclosure answer group 3", "description": "Candidate field group: retention_policy_ref, hold_ref, disposition_authority, payload_action, minimal_tombstone, review_date. Nested schemas and controlled vocabularies require an adopting profile.", "value_kind": "object", "cardinality": "0..n", "required": false, "source_refs": [ "SRC-004", "SRC-006", "SRC-007", "SRC-008" ] } ], "artifacts": [ { "id": "artifact-exchange", "name": "Projection and disposition manifest", "description": "Versioned local assertions and qualified references; external source masters remain authoritative for their own records.", "media_or_form": [ "structured register", "authorized human-readable projection" ], "serial": true, "identity_strategy": "Authoritative master-system namespace and ID plus revision first; governed IRI next; otherwise local UUID with reconciliation status. Entry IDs are opaque and contain no substance stock locations.", "source_refs": [ "SRC-004", "SRC-006", "SRC-007", "SRC-008" ] } ], "inline_only_rationale": null } ] } ] } ] }, "functions": [ { "id": "function-resolve-reference", "name": "Resolve a qualified substance reference", "description": "Proposed, unimplemented local operation. Compare namespace, identifiers and declared identity scope; return candidates when sameness is unresolved.", "inputs": [ "master_or_external_ref", "identity_basis", "authorized_purpose" ], "outputs": [ "resolved_ref or ambiguity_report" ], "preconditions": [ "Verified role, purpose and data access", "Resolvable subject and evidence references", "For mutation: expected current revision and authorized write scope; refuse conflict or missing authority" ], "effects": [ "Read-only resolution; no automatic merge" ], "source_refs": [ "SRC-003", "SRC-004", "SRC-008" ] }, { "id": "function-record-identity-assessment", "name": "Record an identity assessment", "description": "Proposed, unimplemented local operation. Append a qualified reviewer assessment using existing evidence; never infer analytical confirmation from a label.", "inputs": [ "subject_revision", "assessment_evidence_refs", "reviewer_authority" ], "outputs": [ "assessment_revision or refusal_report" ], "preconditions": [ "Verified role, purpose and data access", "Resolvable subject and evidence references", "For mutation: expected current revision and authorized write scope; refuse conflict or missing authority" ], "effects": [ "Append assessment and unresolved alternatives; do not execute tests" ], "source_refs": [ "SRC-003", "SRC-006", "SRC-008" ] }, { "id": "function-attach-property-assertion", "name": "Attach a property assertion", "description": "Proposed, unimplemented local operation. Link an existing determination with units, conditions and reported uncertainty without changing the observation master.", "inputs": [ "subject_revision", "determination_ref", "property_qualifiers" ], "outputs": [ "property_assertion_revision or refusal_report" ], "preconditions": [ "Verified role, purpose and data access", "Resolvable subject and evidence references", "For mutation: expected current revision and authorized write scope; refuse conflict or missing authority" ], "effects": [ "Append a traceable local assertion; no physical measurement or chemical calculation" ], "source_refs": [ "SRC-005", "SRC-006", "SRC-008" ] }, { "id": "function-link-safety-reference", "name": "Link safety context", "description": "Proposed, unimplemented local operation. Record an existing safety-profile or document reference and applicability; do not classify hazards or approve use.", "inputs": [ "subject_revision", "safety_document_ref", "issuer_and_applicability_evidence" ], "outputs": [ "qualified_safety_link or refusal_report" ], "preconditions": [ "Verified role, purpose and data access", "Resolvable subject and evidence references", "For mutation: expected current revision and authorized write scope; refuse conflict or missing authority" ], "effects": [ "Append link and stale/conflict state; no operational authorization" ], "source_refs": [ "SRC-007", "SRC-008" ] }, { "id": "function-propose-record-change", "name": "Propose a record correction or split", "description": "Proposed, unimplemented local operation. Prepare a reviewable identity change with dependency impact; approval remains a separate authorized decision.", "inputs": [ "current_revision", "proposed_change", "evidence_refs" ], "outputs": [ "local_change_proposal or refusal_report" ], "preconditions": [ "Verified role, purpose and data access", "Resolvable subject and evidence references", "For mutation: expected current revision and authorized write scope; refuse conflict or missing authority" ], "effects": [ "Create proposal only; no automatic master merge, deletion or downstream change" ], "source_refs": [ "SRC-008", "SRC-009" ] }, { "id": "function-project-authorized-view", "name": "Prepare a permitted local projection", "description": "Proposed, unimplemented local operation. Apply a pinned mapping and recipient scope; refuse silent loss of identity, safety or evidence qualifiers.", "inputs": [ "subject_revision", "recipient_authorization", "mapping_version" ], "outputs": [ "local_projection_and_loss_report or refusal_report" ], "preconditions": [ "Verified role, purpose and data access", "Resolvable subject and evidence references", "For mutation: expected current revision and authorized write scope; refuse conflict or missing authority" ], "effects": [ "Write a local artifact and audit reference; no transmission or access expansion" ], "source_refs": [ "SRC-004", "SRC-006", "SRC-007", "SRC-008" ] } ], "composition": [ { "target": "WM-MAT-002", "relation": "REFERENCE", "purpose": "Material grades and engineering performance are separately mastered. This record supplies only a substance reference, not the whole legacy material domain. Proposed optional binding; neighbor specification and version must be pinned before implementation.", "required": false, "source_refs": [ "SRC-001", "SRC-003" ] }, { "target": "WM-MAT-003", "relation": "REFERENCE", "purpose": "A formulation deliberately combines substance references. A regulatory multi-constituent or UVCB identity is not automatically a formulation and needs its own stated identity basis. Proposed optional binding; neighbor specification and version must be pinned before implementation.", "required": false, "source_refs": [ "SRC-002", "SRC-003" ] }, { "target": "WM-MAT-004", "relation": "REFERENCE", "purpose": "Physical quantity, holder, stock status, movement and storage location belong to the lot. The substance record identifies a kind of matter, not one bounded quantity. Proposed optional binding; neighbor specification and version must be pinned before implementation.", "required": false, "source_refs": [ "SRC-001", "SRC-005" ] }, { "target": "WM-MAT-005", "relation": "REFERENCE", "purpose": "Sample identity and custody remain external. Sample evidence supports a scoped substance assertion without proving every occurrence is identical. Proposed optional binding; neighbor specification and version must be pinned before implementation.", "required": false, "source_refs": [ "SRC-003", "SRC-006" ] }, { "target": "WM-MAT-006", "relation": "REFERENCE", "purpose": "Classification decisions, operational controls and hazard-profile lifecycle remain external. This model records applicability-qualified references and unresolved warnings only. Proposed optional binding; neighbor specification and version must be pinned before implementation.", "required": false, "source_refs": [ "SRC-007" ] }, { "target": "WM-MAT-007", "relation": "REFERENCE", "purpose": "Test procedure, execution and laboratory workflow remain external; only evidence links and their interpretation for identity or properties belong here. Proposed optional binding; neighbor specification and version must be pinned before implementation.", "required": false, "source_refs": [ "SRC-003", "SRC-006" ] }, { "target": "WM-MAT-008", "relation": "REFERENCE", "purpose": "Raw observations and measurement lifecycle remain external. Substance-level selected assertions retain the observation reference and conditions. Proposed optional binding; neighbor specification and version must be pinned before implementation.", "required": false, "source_refs": [ "SRC-005", "SRC-006", "SRC-008" ] }, { "target": "InChI", "relation": "ALIGN", "purpose": "Conceptual representation alignment; pin implementation and normalization options, retain source representation and report losses.", "required": false, "source_refs": [ "SRC-004" ] }, { "target": "OECD Harmonised Templates", "relation": "ALIGN", "purpose": "Conceptual study and endpoint exchange alignment; select and validate specific template versions before claiming conformance.", "required": false, "source_refs": [ "SRC-006" ] }, { "target": "PROV-O", "relation": "ALIGN", "purpose": "Conceptual assertion lineage alignment; this model does not implement a general provenance engine.", "required": false, "source_refs": [ "SRC-008" ] } ], "serviceLayers": { "dimension": { "owner_package_requirements": [ "Accountable adopting custodian role and authority policy", "Master namespace, identity scope and reconciliation rules", "Access, safety-escalation, licensing and retention policies with reviewers" ], "namespace_guidance": "Own local record identifiers only. External codes retain scheme, issuer, subject scope and revision; never claim ownership of matter or of an external registry.", "registry_links": [ "vr.wm-mat-001", "Local subject registry with pinned bindings to WM-MAT-002 through WM-MAT-008" ] }, "canon_and_patch": { "canonicalization_rules": [ "Preserve original representations alongside normalized derivatives, with tool version and loss report. No name-only, formula-only or hash-only identity merge.", "Canonical here means local serialization policy, not canonical research status or globally true chemistry." ], "patch_rules": [ "Use expected revision, authorized actor, change reason and evidence. Split/new identity needs explicit review and successor links.", "Unknown, absent, withheld, not applicable and contradicted remain distinct. Never replace a qualified value with an unqualified scalar." ], "compatibility_rules": [ "Version boundary, unit, identifier and composition-basis changes; reject silent narrowing or broadening.", "Flag downstream bindings for reassessment without mutating their masters." ] }, "artifact_rules": { "identity_priority": [ "Authoritative master-system identifier with namespace and revision", "Governed global identifier or IRI with issuing scheme", "Local UUID assigned by the adopting Dimension with unresolved mapping status" ], "timestamp_rule": "Use RFC 3339 timestamps with seconds and an explicit offset or Z. Distinguish event time, observation time and ingestion time. Retain date-only precision and unknown values without inventing instants.", "serial_naming_rule": "Use stable opaque record ID, artifact role and sequence or revision; dates are metadata, never sole identifiers.", "integrity_rule": "Retain source reference, permitted digest, media type and derivation. A content hash proves neither chemical sameness nor scientific truth; verify payload accessibility within license and access policy." }, "policies": [ "Subject hierarchy and governance rules are authored proposals, supported conceptually by sources rather than mandated by them.", "No synthesis routes or operational instructions for dangerous subjects. Safety information remains policy-level with qualified external references.", "Do not infer safety, registration, approval or legal market access from a substance identity or missing hazard data.", "Confidential composition, personal attribution and licensed evidence need scoped access; required safety disclosures need qualified policy review." ], "crud": { "read": [ "Return authorized views with evidence and unknown/stale/conflict states; do not expose linked stock or sample details without their master permissions." ], "create": [ "Require declared identity basis, custodian role and provisional or verified identity status; preserve unresolved candidate mappings." ], "update": [ "Append reviewed revisions under concurrency checks. Preserve contrary evidence and history subject to retention; do not rewrite raw source records." ], "delete": [ "Retire local records with successor references. Apply approved retention, legal holds and disposal policy; erase restricted payloads when authorized and retain only lawful minimal tombstones.", "The adopting custodian executes local disposal. External lot, test, measurement and safety masters own their own deletion and lifecycle; local retirement cannot destroy matter or withdraw a legal registration." ] }, "roles": [ { "name": "Substance custodian", "responsibilities": [ "Maintains namespace, scope and accountable curation authority." ] }, { "name": "Scientific reviewer", "responsibilities": [ "Assesses identity, representations, property evidence and uncertainty without replacing external masters." ] }, { "name": "Safety profile reviewer", "responsibilities": [ "Checks linked safety applicability and escalates gaps; cannot infer operational approval from this record." ] }, { "name": "Data steward", "responsibilities": [ "Maintains permitted mappings, provenance, retention and recipient views." ] }, { "name": "Authorized reader", "responsibilities": [ "Uses only scoped assertions and reports ambiguity or stale references." ] } ], "access": { "default_rule": "Deny writes and restricted evidence access unless a role and purpose grant applies. Public summaries require explicit release scope; mandatory safety access exceptions require a qualified adopting policy.", "scopes": [ "bundle", "layer", "finding", "artifact" ], "exceptions": [ "Document emergency or mandatory safety-information access under applicable authority; never treat a generic public record as blanket access to confidential data." ], "audit_requirements": [ "Link actor, purpose, authorization, record revision, operation outcome and time to an external audit master; no general audit engine is owned here.", "Record redaction and mapping losses without leaking hidden values in export metadata." ] }, "agents_bootstrap": { "filename": "AGENTS.md", "required_fields": [ "Name", "Type", "Specification URL", "Storage type URL", "Interface URL", "Processes URL" ], "read_order": [ "AGENTS.md", "Pinned specification and visible publication holds", "Adopting Dimension authority and access policies", "Substance boundary, evidence and neighbor bindings before mutation" ] } }, "coverage": { "claim": "Source-grounded proposed structure for a governed chemical substance identity, with explicit identity basis, qualified assertions and external evidence bindings. A separate local no-tools self-audit found no critical conflict. Independent review, source verification, specialist profiles and executable conformance remain holds; this is a noncanonical reviewable draft.", "confidence": "medium", "checklist": [ { "dimension": "identity", "status": "covered", "notes": "Declared identity basis, external assignments and unresolved sameness are explicit." }, { "dimension": "lifecycle", "status": "covered", "notes": "Record revisions and retirement are distinct from physical transformation or lot lifecycle." }, { "dimension": "relationships", "status": "covered", "notes": "Optional neighbor links preserve separate master responsibility." }, { "dimension": "temporal", "status": "covered", "notes": "Evidence dates and event/ingestion times preserve precision and offset." }, { "dimension": "provenance", "status": "covered", "notes": "Assertion derivation and source status are recorded; truth is not inferred." }, { "dimension": "ownership", "status": "covered", "notes": "Custodian and reviewer roles govern records without owning chemistry or external registries." }, { "dimension": "validation", "status": "gap", "notes": "Research schema validatable; executable instance schemas and chemistry conformance remain a gap." }, { "dimension": "access", "status": "covered", "notes": "Recipient scopes, confidential composition and qualified safety access exceptions." }, { "dimension": "retention and deletion", "status": "covered", "notes": "Local retirement and approved payload disposal preserve lawful reference continuity." }, { "dimension": "interoperability", "status": "gap", "notes": "Candidate InChI, OHT and PROV alignments require pinned implementations and mappings." }, { "dimension": "direct properties", "status": "covered", "notes": "Form and condition-qualified quantities retain units and reported uncertainty." }, { "dimension": "recognition and observation", "status": "covered", "notes": "Analytical evidence references and alternatives separate recognition from labels." }, { "dimension": "capabilities and behavior", "status": "covered", "notes": "Context-limited roles and behavior claims confer no physical operation authority." }, { "dimension": "special substance profiles", "status": "gap", "notes": "Detailed polymer, nanoform, biological and complex substance identity profiles remain deferred." } ], "known_omissions": [ "Independent external review is absent under the owner waiver.", "Direct HTTP verification is not run because the owner reports sandbox blocking; three official sources are supported only by indexed text.", "Current identity guidance, legal applicability, licensing and specialist chemical profile review remain open.", "Nested instance schemas, controlled vocabularies, representation test fixtures, pinned neighbor versions and executable mappings are not delivered." ], "conflicts": [], "regional_assumptions": [ "ECHA guidance supplies EU-oriented substance categories, not universal identity rules.", "The US Appendix D is one safety-document example; no global SDS or transport compliance is asserted.", "The 2015 identifier paper explains design and historical limits; implementation support must be rechecked for a pinned release." ], "adversarial_checks": [ "Challenge a formula/name match across stereoisomers or unknown form: keep candidates separate.", "Challenge a UVCB grouping being forced into one structure: permit missing representation with scope reason.", "Challenge a lot assay being generalized to all substance occurrences: retain representativeness limits.", "Challenge missing hazard data being read as safe: preserve unknown and external review requirement.", "Challenge a record revision becoming manufacture, disposal or registry approval: deny that inference.", "Challenge an export dropping units, scope, confidentiality or contrary evidence: refuse silent loss." ] }, "researchAdjudication": { "providerMode": "single-provider-waiver", "activeProviders": [ "codex" ], "waivedProviders": [ "claude", "grok" ], "providerPolicy": { "contract_version": "1.0.0", "mode": "single-provider-waiver", "effective_at": "2026-09-06T00:00:00Z", "scope": "Canonical single-stream subject-model research after the six-workstream consolidation", "active_providers": [ "codex" ], "waived_providers": [ { "provider": "claude", "authorized_by": "repository owner", "authorized_at": "2026-09-06T00:00:00Z", "reason": "Claude produced no result on prior 1800-second and 900-second attempts and again timed out on bounded 600-second Sonnet and 300-second Haiku passes. The owner prioritized completion over provider availability." }, { "provider": "grok", "authorized_by": "repository owner", "authorized_at": "2026-09-06T00:00:00Z", "reason": "The repository owner authorized completion without Grok when Grok is unavailable, slow or schema-invalid. Grok may still be attempted as a bounded supplemental reviewer, but its failure never blocks a valid Claude plus no-tools result." } ], "review_rule": "Codex may complete source-grounded fallback research after bounded Claude and Grok attempts fail. It requires a separate no-tools adversarial audit and remains reviewable-draft with a visible absence-of-external-review hold.", "supplemental_provider_attempts": [ { "provider": "claude", "required": false, "maximum_attempts": 1, "failure_policy": "record-and-continue", "admission_rule": "Use only a locally schema-valid result whose sources and boundaries survive adjudication." }, { "provider": "grok", "required": false, "maximum_attempts": 1, "failure_policy": "record-and-continue", "admission_rule": "Use only a locally schema-valid result whose sources and boundaries survive adjudication." } ] }, "boundaryDecision": { "entry_kind": "entity", "status": "accepted", "rationale": "The root is one persistent governed substance identity record for a kind of matter, rather than a molecule token, lot or universal classifier. Its scientific or jurisdiction-qualified identity basis is explicit. The legacy material, formulation, lot, test and hazard responsibilities are separated through optional external references." }, "decisions": [ { "concept": "Substance identity basis", "disposition": "accepted with explicit profile", "rationale": "The root distinguishes a defined chemical entity from a regulatory grouping and requires sameness criteria. This resolves the apparent conflict between constant-composition terminology and variable-composition regulatory categories without asserting they are identical concepts." }, { "concept": "Legacy M1 scope and supplement", "disposition": "narrowed", "rationale": "The old combined material and stock domain is untrusted preparation. Material grades, formulation recipes and lot lifecycle are delegated. The unreviewed supplement contributes no independent evidence or provider agreement." }, { "concept": "Record entity versus classifier", "disposition": "accepted", "rationale": "Stable governed record identity and revision semantics support entity here. The record identifies a kind of matter without becoming the entire chemical classification system or a physical sample." }, { "concept": "Names and external identifiers", "disposition": "qualified", "rationale": "The questions retain issuer, scheme, scope, alternatives and assignment evidence. A matching name, formula, lookup result or hash cannot silently merge identities." }, { "concept": "Composition envelope and unknowns", "disposition": "accepted with limits", "rationale": "Constituent roles, fraction bases, unknown fractions and supported variation belong to the identity assessment. They neither reproduce formulation recipes nor turn an occurrence assay into a universal class fact." }, { "concept": "Representation granularity", "disposition": "accepted with implementation hold", "rationale": "Source structure, generator version, normalization options and loss reporting preserve interpretation. The historical identifier paper is not used as a current implementation support matrix; complex chemistry remains an explicit profile gap." }, { "concept": "Properties and behavior", "disposition": "accepted as qualified assertions", "rationale": "Measured, calculated and declared values retain conditions and evidence. Uncertainty can remain unknown. Contextual roles and behavior claims do not imply permission, physical execution or a universal safe-use decision." }, { "concept": "Recognition and evidence quality", "disposition": "accepted", "rationale": "Identity assessment retains sample, test and observation references with alternatives and representativeness limits. Label matching, attribution and byte integrity do not independently confirm chemical identity or scientific truth." }, { "concept": "Safety and regulatory scope", "disposition": "delegated", "rationale": "The result records external safety documents and applicability. It does not own classification engines, produce compliant safety documents, authorize handling or interpret missing information as safety. The US example remains jurisdiction-qualified." }, { "concept": "Candidate neighboring models", "disposition": "accepted as optional references", "rationale": "No frozen relation-ledger row exists for this model. Seven proposed sibling references preserve separate masters and require future version binding; no mandatory runtime dependency or ratified registry edge is invented." }, { "concept": "Local functions and physical effects", "disposition": "accepted as proposed only", "rationale": "The six operations resolve references, append evidence links or prepare local proposals and projections. Role and concurrency preconditions apply. None manufactures matter, executes tests, moves stock, classifies hazards or transmits data." }, { "concept": "Record continuity and disposal", "disposition": "accepted with adopting policy", "rationale": "Correction, split, supersession and retirement are distinct from physical transformation. History preservation is qualified by retention and lawful payload disposal; referenced masters keep their own lifecycle authority." }, { "concept": "Source verification", "disposition": "limited and held", "rationale": "Six documents were accessible through the web tool and three official pages supplied indexed text only. No direct HTTP requests were attempted under the owner notice. Zero measured HTTP 200 responses must not be described as nine failed or successful checks." }, { "concept": "Executable schemas and external review", "disposition": "deferred", "rationale": "Candidate optional object groups, reference bindings and conceptual mappings are research structure, not executable instance validation. The no-tools phase is a local self-audit and cannot substitute for the absent independent second provider." } ], "publicationHolds": [ "Independent external review is absent. Claude and Grok were skipped under the explicit owner override and existing single-provider waiver. The separate local Codex no-tools self-audit is not independent second-provider review.", "Source and version verification remains incomplete. Six documents opened through the web tool; SRC-001 through SRC-003 were supported only by official indexed text. Direct HTTP checks were not attempted because the owner reports sandbox blocking: zero measured HTTP 200 responses. The coordinator must run check_sources.py outside the sandbox and separately verify current versions and claim support.", "Qualified chemical and jurisdictional review is required for substance sameness, complex substances, polymers, nanoforms, biological substances, safety applicability, confidentiality, retention and licensing. No universal identity, regulatory approval or safe-use certification is claimed.", "Nested instance schemas, controlled vocabularies, pinned neighbor specifications, current representation implementations, OHT mappings and adversarial conformance fixtures remain incomplete. The supplied research schema validation does not establish runtime or chemistry conformance.", "Independent external review was explicitly waived by the repository owner; this codex-only result remains a reviewable draft." ], "deferredResearch": [ "Verify full current identity guidance and source versions, applicable legal profiles and reuse rights, including the three indexed-only sources.", "Develop specialist identity profiles and fixtures for unresolved stereochemistry, salts and forms, variable composition, polymers, nanoforms and conflicting sample evidence.", "Pin neighboring specifications and representation implementations; build nested data schemas and tested loss-aware exchange mappings.", "Restore independent external review before any canonical or publishable-draft promotion." ] }, "statistics": { "sources": 9, "bundles": 6, "layers": 12, "findings": 12, "questions": 36, "artifacts": 12, "functions": 6 } }