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sdrf-annotated-datasets

License: Apache 2.0 llms.txt Datasets Sandbox Validate SDRF datasets

Community SDRF annotations for public proteomics datasets (ProteomeXchange and related accessions). The SDRF specification lives in bigbio/proteomics-sample-metadata.

License: Apache 2.0 · Contributing: CONTRIBUTING.md · Agent context: llms.txt, AGENTS.md

Resource at a glance

Auto-generated from curated datasets/ on 2026-09-27T21:03:33Z. Sandbox drafts are excluded.

Metric Count
Accessions 10,187
SDRF files 10,460
Accessions with a declared template 10,184
Samples (unique source name per file) 316,072
Runs (unique comment[data file] per file) 425,291
Assay rows 536,056
Human contributors 28
AI agents (named fingerprints) 5
AI-assisted accessions 10,187
Unidentified agent 2,554
Multi-agent accessions 340
Distinct instruments 152
Median runs per accession 12
Accessions with modification parameters 4,570
ProteomeXchange coverage 10,130 / 56,691 (17.9%)
PRIDE coverage 9,969 / 41,770 (23.9%)

Highlights: most common organism is Homo sapiens; 100,549 DIA assay rows; 97,260 TMT and 392,532 LFQ assay rows; 73 single-cell, 594 cell-line, and 594 metaproteomics accessions; sample-field completeness (applicable samples): disease 40%, age 13%; all 10,187 accessions are AI-assisted (28 human contributors, 5 named AI agents); identified fingerprints are mostly Cursor; 2,554 accessions have no vendor fingerprint (typical of Claude Code committed as the reviewer); 410 accessions have Codex evidence (codex/ PR branches); 340 accessions were touched by more than one agent (most common handoff Cursor → Codex); most common instrument is Q Exactive; most common modification is Carbamidomethyl; 17.9% of public ProteomeXchange datasets have a curated SDRF here; 23.9% of PRIDE projects are annotated.

How much of public proteomics is annotated

Organisms in curated annotations

Disease annotations

Quantification and acquisition methods

Instruments, runs, and modifications

Annotation completeness

Templates and specialized collections

AI-assisted annotation

Gold standard datasets

Looking for a known-good SDRF to point a pipeline at? A short curated list is kept for exactly that. Each entry passes both CI gates, maps every row to a real deposited run, and carries enough sample metadata to exercise what usually breaks first — TMT channel maps, cell-line identity, phospho-enrichment metadata and factor-value driven designs. Between them they span five organisms, DDA and DIA, label-free, TMT and SILAC, and 112 to 5,798 rows. The standout is PXD030304: 949 cell lines with per-line sex, age, ancestry and Cellosaurus accession across 5,798 individually mapped runs.

See docs/gold-standard-datasets.md for the list, what each one is good for testing, and how to fetch and validate them.

Known issues

Some deposits have problems that annotation alone cannot fix. Examples are a 2 KB metadata stub named .raw, or a PRIDE instrument field that contradicts the raw file. These SDRFs are kept, not deleted, and are listed in docs/known-issues.md by severity (critical, major, moderate, minor), with the evidence for each, so pipelines can skip them and curators can follow up.

Key links

Resource URL
Specification https://github.com/bigbio/proteomics-sample-metadata/blob/master/sdrf-proteomics/README.adoc
Public site https://sdrf.quantms.org/
Templates https://github.com/bigbio/sdrf-templates
Validator CLI (parse_sdrf) https://github.com/bigbio/sdrf-pipelines
Agentic toolkit https://github.com/bigbio/sdrf-skills

Dataset layout

Files follow the pattern datasets/{ACCESSION}/{ACCESSION}.sdrf.tsv:

datasets/PXD000070/PXD000070.sdrf.tsv
datasets/MSV000078494/MSV000078494.sdrf.tsv

Additional .sdrf.tsv files may appear in the same folder when a project requires split designs.

Sandbox

Work-in-progress annotations live under sandbox/. Move a folder to datasets/ and open a PR once it passes parse_sdrf validate-sdrf. CI only validates datasets/; sandbox/ is exempt so drafts don't block merges.

Contributing

Open a pull request to add or improve annotated SDRF files. See CONTRIBUTING.md for layout rules and review etiquette.

Agent-assisted annotation

Use sdrf-skills as the primary toolkit. Key rules:

  • Anchor every row in public evidence (PX page, submitted metadata, publication). Don't invent sample names or file names.
  • Keep PRs small — one accession or a closely related batch.
  • Run validation locally (parse_sdrf validate-sdrf) before opening a PR.
  • Declare assistance in the PR description so reviewers can calibrate review depth.

For agent-specific instructions see AGENTS.md.

CI validation

GitHub Actions runs parse_sdrf validate-sdrf on every PR and push touching datasets/**. The validator is installed from bigbio/sdrf-pipelines main branch. Re-run all checks manually via workflow_dispatch in the Actions tab.

How to cite

  • Dai C, Füllgrabe A, Pfeuffer J, Solovyeva EM, Deng J, Moreno P, Kamatchinathan S, Kundu DJ, George N, Fexova S, Grüning B, Föll MC, Griss J, Vaudel M, Audain E, Locard-Paulet M, Turewicz M, Eisenacher M, Uszkoreit J, Van Den Bossche T, Schwämmle V, Webel H, Schulze S, Bouyssié D, Jayaram S, Duggineni VK, Samaras P, Wilhelm M, Choi M, Wang M, Kohlbacher O, Brazma A, Papatheodorou I, Bandeira N, Deutsch EW, Vizcaíno JA, Bai M, Sachsenberg T, Levitsky LI, Perez-Riverol Y. A proteomics sample metadata representation for multiomics integration and big data analysis. Nat Commun. 2021 Oct 6;12(1):5854. doi: 10.1038/s41467-021-26111-3. PMID: 34615866; PMCID: PMC8494749. Manuscript
  • Perez-Riverol, Yasset, European Bioinformatics Community for Mass Spectrometry. "Towards a sample metadata standard in public proteomics repositories." Journal of Proteome Research (2020) Manuscript.

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A repository of datasets in ProteomeXchange annotated in SDRF, previously part of the specification

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