DATA_DICTIONARY.md

# Data dictionary

Every JSONL line is one JSON object. Three named Hugging Face configurations use the same unsplit `corpus` designation.

## records

One complete eligible investigation per row. The useful reading columns are `question`, `beginner_question`, `answer`, `trace_markdown` and `limitations`. The beginner question is an existing source paraphrase, not a new claim.

| Columns | Meaning |
|---|---|
| record_id, created_at | Stable source identity and original creation time |
| family, tier, template_id | Source question taxonomy and template |
| paraphrases | Recorded alternative phrasings; not independent examples |
| molecule_smiles | Canonical structures in the record registry |
| claims_json, molecules_json | Complete structured claims and molecule registry, encoded as JSON strings |
| interpretations_json, derived_questions_json | Source interpretations and proposed follow-ups |
| source_confidence_json | Computed confidence projection for every claim, including dependencies and warnings |
| prediction_timing | Whether recorded pre-call writing order was verified, unverified, or not applicable under the source policy |
| validation_gates_json | Original G1-G11 statuses |
| referee_score, referee_model | Recorded independent model review; null or empty when not supplied |
| builder_review_recorded | Whether a matching building-agent trace-review receipt exists |
| source_model | Recorded question-writer model |
| source_capture_id | SHA-256 of the original complete tools.jsonl; a grouping key |
| source_record_sha256, source_trace_sha256 | Hashes of the original source files |
| ledger_entry, ledger_line | Commitment in provenance/source-ledger.jsonl |
| related_record_ids | Explicit supersedes and derived_from links |
| tags | Propagated confidence, method and timing qualifications |
| claims_count, tool_calls_count | Counts for this record and its retained non-protocol capture |
| creator, license | ChemBricks and mit for this release |

## claims

One eligible claim per row. `id` is `record_id:claim_id`. Shared fields have the meanings above.

| Columns | Meaning |
|---|---|
| statement, claim_type, property | Original claim wording, category and property identifier |
| value, value_json, unit | Numeric convenience value, lossless original JSON value, and source unit |
| verdict | Always passed in this subset |
| tool, model, trust_factor | Actual recorded method; nullable trust when unavailable |
| conditions_json | Source phase, geometry, solvent, temperature and state |
| claim_json | Complete original claim including its evidence and checks |
| source_confidence_json | Dependency-aware confidence for this claim |
| full_record_eligible | Whether the complete source investigation also appears in records |
| limitations | The source Limitations section, retained even for a claim-only source |

A null scalar value can be valid for a directional ranking or a qualitative claim. `value_json` is authoritative for the original type. Null does not mean zero. Trust factors and screening outputs retain their documented limitations.

## evidence

One public tool-call row per pair of `source_capture_id` and `request_id`.

| Columns | Meaning |
|---|---|
| tool, status, timestamp, duration_ms | Recorded execution information |
| args_json, response_json | Exact chemical arguments and response, represented as JSON strings |
| source_line | Original line number; gaps reflect omitted protocol rows |
| public_row_json | Complete retained public row with client request metadata removed |
| source_row_sha256 | Original row hash before public-copy metadata removal |
| row_sha256 | Hash of the public row excluding its own sha256 field |
| omitted_metadata_fields | Request-envelope metadata paths removed from the public row |

Join a claim to evidence using both its source capture ID and each evidence request ID. Claim JSON paths start at the full decoded response. JSON-encoded text content may need decoding while traversing a path.

The public-row hash uses SHA-256 over JSON with sorted keys, compact separators, UTF-8 characters unescaped, no NaN, and the `sha256` key omitted. The original response metadata is preserved, including request IDs. The source and public row hashes can differ without any chemical change.

## Supporting files

- `schemas/*.schema.json`: exact public row schemas.
- `provenance/records.jsonl`: source hashes, original gate states, review receipts and historical license labels.
- `provenance/selection.jsonl`: eligible and excluded claim IDs, with reasons propagated through dependencies.
- `provenance/exclusions.json`: record-level exclusions.
- `provenance/source-ledger.jsonl`: frozen ledger prefix, including commitments to sources outside the selected release.
- `manifest.json`: counts, source state, policies, transformations and file hashes.
- `SHA256SUMS`: checksums of the distributable package.

The package verifier checks internal integrity and evidence links. Source-file hashes are commitments to the original private corpus; the package does not contain every original source file required to reconstruct that corpus.