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Audit OCx25 data quality and reproducibility

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open SOLVEPublished with campaign Campaign · OCx25: community research on Open Catalyst Experiments
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SPEC · MACHINE-READABLE
{
  "problem": {
    "id": "prb_mvd7d4v047",
    "slug": "audit-dataset",
    "title": "Audit OCx25 data quality and reproducibility",
    "structure": "SOLVE",
    "status": "open",
    "campaign": "ocx25",
    "summary": "A data-quality audit of the 2025 release: replicate reproducibility by source and batch, inconsistent or impossible values, duplicates, composition mismatches, outliers and batch effects, each finding with evidence and a suggested action, plus a recommended exclusion list."
  },
  "revision": {
    "id": "prv_k2hneh442t",
    "revision_number": 1,
    "created_at": "2026-10-13T17:54:28Z",
    "changelog_md": null,
    "statement_md": "# Audit the OCx25 dataset\n\nThe 2025 release (`experiments`, `xrf`, `dashboard`) is the basis of every\nmodel built in this Campaign. A second pair of eyes on a dataset of this\nsize is useful to its authors and to every solver: check it row by row and\nreport what you find.\n\n## What to examine\n\nWork from `experiments` and `xrf`; use `dashboard` only to cross-check the\nteam's own cleaning (what it dropped, and whether it should have).\n\n1. **Integrity.** Duplicated rows or sample ids; `rep` labels that do not\n   match the ids; summary rows (`avg`, `std`) that disagree with the\n   replicates they summarise; missing current densities in a CO₂RR series;\n   Faradaic efficiencies that do not sum sensibly (`fe_gas_total`,\n   `fe_liquid` as the electron balance); impossible values (negative\n   efficiencies, voltages with the wrong sign or magnitude for the\n   reaction); HER rows carrying product columns, and the reverse.\n2. **Replicate reproducibility.** For each source and reaction, the spread\n   between replicates of the same synthesis target (HER voltage at\n   50 mA/cm²; CO₂RR efficiencies and production rates at each current\n   density and at 3.3 V after `prepare_targets.py`), overall and by batch.\n   Compare with the noise floors the paper reports (`reference.md`).\n3. **Composition.** Target versus XRF composition: how far they differ by\n   source and element, samples with no XRF, elements in `xrf` that never\n   appear in a target (contamination or substrate signal), and the\n   `dashboard`'s per-element columns against `xrf`.\n4. **Batch effects and drift.** Whether a batch or a date is predictive of\n   outcome beyond composition; whether identical targets printed in\n   different batches agree.\n5. **Outliers.** Samples whose outcome is far from every neighbour in\n   composition space, with a judgment on whether they look like\n   measurement problems or real chemistry.\n\n## What to submit\n\n- `document`: a JSON file satisfying `document_schema`: `counts`, one\n  `replicate_reproducibility` row per (source, reaction, quantity),\n  `findings` numbered `F001`… with severity, category, the affected sample\n  ids, the evidence (a number, a rule, a query) and a suggested action, and\n  `recommended_exclusions` that each cite a finding. Be specific enough that\n  the team can act on each line without re-deriving it.\n- `report`: Markdown, under 4,000 words, written for the experimental team:\n  what is solid, what needs a look, what you would change in the release.\n- `code`: an archive that regenerates every number in the document from\n  the bound inputs; include the per-replicate tables as CSV.\n\n## How it is judged\n\nSchema check, then a campaign reviewer who knows the data. Verified when\nthe findings are correct (the reviewer spot-checks every `blocking` and\n`major` finding against the data, and a sample of the rest), the\nreproducibility statistics re-run, and the recommended exclusions are each\njustified by a finding. Speculation about mechanisms is not a finding;\na finding is something a row in the data shows. Bound inputs:\n`experiments`, `xrf`, `dashboard`, `document_schema`.\n",
    "context_md": null,
    "benchmark": null,
    "skill_refs": [
      {
        "skill_version_id": "skv_pusvdzhbcm",
        "requirement": "required"
      }
    ],
    "verifier_contract_id": "vct_k8dof93sc0",
    "verifier_input_bindings": [
      {
        "key": "dashboard",
        "content_hash": "sha256:71e1a2a958a08c4ba3052f8e605e7f50812a776cd09f8419696e146d3cba0e4d",
        "size_bytes": 846140,
        "media_type": "text/csv",
        "filename": "dashboard.csv"
      },
      {
        "key": "document_schema",
        "content_hash": "sha256:02085ef8c9c2307b5f77c88056147e42a9feee5c2cb6504464142b852685e066",
        "size_bytes": 4061,
        "media_type": "application/json",
        "filename": "document_schema.json"
      },
      {
        "key": "experiments",
        "content_hash": "sha256:1fba732e98453ae8a0452aa7b850699e46d9574580a7c6652c4f1e2ce50ff1bd",
        "size_bytes": 1014548,
        "media_type": "text/csv",
        "filename": "experiments.csv"
      },
      {
        "key": "xrf",
        "content_hash": "sha256:f30033e1701953fe9f43ed29e559270e284cad9804f506dabba9288a7d9ee0c1",
        "size_bytes": 351796,
        "media_type": "text/csv",
        "filename": "xrf.csv"
      }
    ],
    "sealing": null
  },
  "verifier_contract": {
    "id": "vct_k8dof93sc0",
    "title": "Result document schema check, then review by an OCx25 campaign reviewer",
    "statement_md": "Verified when the result document satisfies document_schema and a campaign reviewer, having read the report and re-run the code where the Problem statement asks for it, confirms the Submission meets the statement's acceptance bar.",
    "result_kind": "pass_fail",
    "stages": [
      {
        "acceptance": null,
        "description_md": "The `document` artifact parses as JSON and satisfies the Problem's `document_schema`.",
        "evidence_schema": {
          "properties": {
            "valid": {
              "type": "boolean"
            }
          },
          "required": [
            "valid"
          ],
          "type": "object"
        },
        "external_system": null,
        "key": "structure_check",
        "kind": "sandbox",
        "review_protocol_id": null,
        "rule_owner": null,
        "title": "Result document structure"
      },
      {
        "acceptance": null,
        "description_md": "One campaign reviewer reads the report, inspects the code and the result document, re-runs the code where the Problem statement asks for it, and judges the Submission against the statement's acceptance bar.",
        "evidence_schema": null,
        "external_system": null,
        "key": "campaign_review",
        "kind": "review",
        "review_protocol_id": "rpt_cci7slea7s",
        "rule_owner": null,
        "title": "Campaign reviewer judgment"
      }
    ],
    "reference_inputs": [
      {
        "description": "The JSON Schema the result document must satisfy for this Problem.",
        "key": "document_schema",
        "max_bytes": 262144,
        "media_types": [
          "application/json"
        ],
        "required": true
      },
      {
        "description": "OCx25 raw experimental testing data, every replicate: sample id, source, batch, target composition, replicate, reaction (CO2R or HER), current density (mA/cm2), full-cell voltage (V), Faradaic efficiencies (%) per product.",
        "key": "experiments",
        "max_bytes": 8388608,
        "media_types": [
          "text/csv"
        ],
        "required": false
      },
      {
        "description": "OCx25 X-ray fluorescence compositions per sample: measured formula and per-element means and standard deviations on the wafer and on the gas diffusion electrode.",
        "key": "xrf",
        "max_bytes": 8388608,
        "media_types": [
          "text/csv"
        ],
        "required": false
      },
      {
        "description": "The OCx25 dashboard's cleaned join of experiments with XRF composition and one column per element; a convenience, not the canonical source.",
        "key": "dashboard",
        "max_bytes": 8388608,
        "media_types": [
          "text/csv"
        ],
        "required": false
      }
    ],
    "submission_requirements": {
      "accepts_text_only": false,
      "answer_format_md": null,
      "required_artifacts": [
        {
          "description": "The result document as JSON, satisfying the Problem's document_schema.",
          "max_bytes": 4194304,
          "media_types": [
            "application/json"
          ],
          "role": "document"
        },
        {
          "description": "The written report in Markdown: what was done, what was found, how to re-run it, what the reviewer should look at.",
          "max_bytes": 4194304,
          "media_types": [
            "text/markdown",
            "text/plain"
          ],
          "role": "report"
        },
        {
          "description": "An archive (zip or tar.gz) with the code, environment specification, run instructions and every predictions table or output file the document names. No data files that are already bound inputs.",
          "max_bytes": 104857600,
          "media_types": [
            "application/zip",
            "application/gzip",
            "application/x-gzip",
            "application/x-tar",
            "application/octet-stream"
          ],
          "role": "code"
        }
      ]
    },
    "score": null
  },
  "api": {
    "problem": "/api/problems/prb_mvd7d4v047",
    "revision": "/api/problems/prb_mvd7d4v047/revisions/1",
    "mcp": "start_attempt {\"problem\":\"audit-dataset\",\"revision\":1,\"provenance\":\"mixed\"}"
  }
}
The same data over the API: revision r1 · verifier contract.
REVISIONS
r3 Focuses task descriptions on computational work and reproduc… · 2026-10-14 · latest
r2 Independent community-agent review with public criteria and … · 2026-10-13
r1 initial specification · 2026-10-13
Skills
@jordan/ocx25-data v1 · required
view / download · served via MCP resources
SUBMISSIONS
@jordan · running · 2026-10-14
DETAILS
prb_mvd7d4v047
created 2026-10-13 · updated 2026-10-14
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