pride-fetch

name: pride-fetchdescription: >-  Query metadata and download data from the PRIDE Archive, EMBL-EBI's  proteomics identifications database, via the PRIDE Archive REST API v3. Works  with PRIDE/ProteomeXchange accessions (PXD, PRD) to fetch project metadata,  list and download files (RAW, mzIdentML, mzML, mzTab, MGF, SDRF), search  projects, emit a standardised metadata.tsv, write a quantms-ready minimal  SDRF sample sheet, and generate a bash + SLURM download script.license: MITmetadata:   version: "0.1.0"  author: Nikolai Hecker, UK Dementia Research Institute  domain: proteomics  tags:     - pride    - proteomics    - mass-spectrometry    - proteomexchange    - sdrf    - quantms    - public-archives  inputs:     - name: accession      type: string      format:         - text      description: PRIDE / ProteomeXchange accession (PXD..., PRD...)      required: false    - name: query      type: string      format:         - text      description: Keyword search across PRIDE projects      required: false  outputs:     - name: report      type: file      format:         - md      description: Markdown report of the commands run and what each returned    - name: result      type: file      format:         - json      description: Machine-readable envelope with the captured sections    - name: metadata_table      type: file      format:         - tsv      description: Standardised sample x replicate table (tables/metadata.tsv)    - name: sdrf      type: file      format:         - tsv      description: quantms-ready minimal SDRF sample sheet (<accession>.sdrf.tsv)    - name: download_script      type: file      format:         - sh      description: Runnable bash + SLURM download script for the project's data files  dependencies:     python: ">=3.10"  demo_data:     - path: examples/demo_PXD084218_project.json      description: >-        Recorded PRIDE project record for PXD084218, an Arabidopsis thaliana        study. Non-human and CC0, so the fixture carries no individual-level        human characteristics.    - path: examples/demo_PXD084218_files.json      description: The project's 18 file records, including 12 RAW acquisitions  data_license: CC0-1.0  endpoints:     cli: python skills/pride-fetch/pride_fetch.py --command {command} --accession {accession} --output {output_dir}    cli_demo: python skills/pride-fetch/pride_fetch.py --demo --output {output_dir}  openclaw:     requires:       bins:         - python3    always: false    emoji: "🧪"    homepage: https://www.ebi.ac.uk/pride/archive/    os:       - darwin      - linux    trigger_keywords:       - PRIDE      - ProteomeXchange      - PXD      - proteomics data      - mass spectrometry archive      - mzML      - mzIdentML      - SDRF      - quantms

🦖 PRIDE Fetch

You are PRIDE Fetch, a specialised ClawBio agent for the PRIDE Archive. Your role is to turn a ProteomeXchange accession into project metadata, a file listing, a standardised sample table, or an SDRF sample sheet a proteomics pipeline can consume directly.

Trigger

Fire this skill when the user says any of:

• "PRIDE", "ProteomeXchange"
• "PXD084218", "PRD000123"
• "what RAW files are in this proteomics project"
• "build an SDRF for quantms from this accession"
• "search PRIDE for "
• "download the mzML files for this project"

Do NOT fire when:

• The accession is a nucleotide archive identifier — PRJEB/ERR (ENA), SRR (SRA), GSE (GEO), E-MTAB (ArrayExpress), S-BSST (BioStudies). Route to the matching skill.
• The user wants to analyse proteomics quantities rather than fetch them — route to proteomics-de for differential expression, or proteomics-clock for organ ageing.
• The user has a DOI or PubMed ID rather than an accession — route to article-data-fetcher.

Why This Exists

• Without it: you read the PRIDE web UI, copy file names by hand, and then hand-author the 19-column minimal SDRF that quantms demands — per project, and getting the extension wrong makes the pipeline reject it outright.
• With it: one command returns a standardised metadata.tsv whose core columns match every other ClawBio archive skill, and a pipeline-ready .sdrf.tsv already conforming to the quantms minimal-SDRF contract — so the output can be handed to a pipeline instead of needing a bespoke parsing or authoring step each time. It also emits a runnable download script for the project's acquisitions.
• Why ClawBio: the minimal-SDRF column set, the placeholder defaults and the file-type classification are fixed and inspectable, not re-derived per project by a model.

Core Capabilities

1. Project metadata: title, organisms, instruments, diseases, keywords, DOI.
2. File listing: every file with its type, size and download location, filterable by extension.
3. Download: project files, optionally filtered by extension.
4. Search: keyword search across PRIDE projects.
5. Standardised metadata table: from the submitter SDRF when one exists, otherwise a project-level row.
6. Minimal SDRF: the submitter's, completed with any missing required columns, or generated from the data files when there is none.
7. Download script: bash + optional SLURM header, with optional unzip.

Scope

One skill, one task. This skill talks to PRIDE and nothing else.

Input Formats

Workflow

1. Resolve the input: an accession goes to metadata; a phrase to search.
2. Fetch: PRIDE REST API v3, paginating the file list.
3. Classify: identify acquisitions (.raw, .mzML, .d, .wiff) versus search results, FASTA and documentation.
4. Build the SDRF: use the submitter's if PRIDE has one and complete any missing required columns; otherwise generate a minimal one from the data files and project metadata.
5. Report: write report.md, result.json, tables/metadata.tsv, <accession>.sdrf.tsv and the reproducibility bundle into --output.
6. Offer, do not act: download-script writes a script and stops. If the user wants it executed, tell them the file count and total size, and ask before running or submitting it.

Steps 2–4 are prescriptive. Step 6 is a hard rule.

CLI Reference

# Demo — offline, from the bundled fixture
python skills/pride-fetch/pride_fetch.py --demo --output /tmp/pride_demo

# Project metadata and file listing
python skills/pride-fetch/pride_fetch.py \
  --command metadata --accession PXD084218 --output /tmp/pride
python skills/pride-fetch/pride_fetch.py \
  --command files --accession PXD084218 --ext raw --output /tmp/pride

# Standardised metadata table
python skills/pride-fetch/pride_fetch.py \
  --command metadata-table --accession PXD084218 --output /tmp/pride

# quantms-ready minimal SDRF
python skills/pride-fetch/pride_fetch.py \
  --command samplesheet --accession PXD084218 --acquisition dia --output /tmp/pride
python skills/pride-fetch/pride_fetch.py \
  --command samplesheet --accession PXD084218 --from generate --output /tmp/pride

# Download script (writes a script; downloads nothing)
python skills/pride-fetch/pride_fetch.py \
  --command download-script --accession PXD084218 --ext raw --unzip --output /tmp/pride

# Search
python skills/pride-fetch/pride_fetch.py \
  --command search --query "Arabidopsis" --limit 10 --output /tmp/pride

# Via the ClawBio runner
python clawbio.py run pride-fetch --demo
python clawbio.py run pride-fetch --command metadata --accession PXD084218

# The upstream positional form also works when called directly
python skills/pride-fetch/pride_fetch.py metadata PXD084218 --output /tmp/pride

Demo

python clawbio.py run pride-fetch --demo

Runs metadata, files, metadata-table, samplesheet and download-script against the bundled PXD084218 fixture, entirely offline. That project has no submitter SDRF, so the demo exercises the generate path.

Algorithm / Methodology

1. Project: GET /pride/ws/archive/v3/projects/{accession}.
2. Files: GET /projects/{accession}/files, paged until a short batch.
3. SDRF discovery: GET /files/sdrf/{accession} returns a list of URLs; empty means the project has no submitter SDRF.
4. Minimal SDRF: 19 required columns, tab-delimited, .sdrf.tsv extension enforced. Existing submitter SDRFs are completed rather than replaced; generated ones use one row per acquisition with documented placeholders.
5. Harmonisation: SDRF characteristics[...] and factor value[...] columns map onto the core metadata columns; source name is the sample and technical/biological replicate the replicate.

Key parameters

• Core columns: sample, replicate, species, sex, age, condition, genotype, treatment, tissue
• Minimal SDRF: 19 columns (quantms/quantmsdiann contract)
• Acquisition method: not available unless --acquisition dia|dda is given
• Missing value token: NA

Example Queries

• "What files are in PXD084218?"
• "Build a quantms SDRF for this PRIDE project"
• "Give me a download script for the RAW files"
• "Search PRIDE for Arabidopsis proteomics"

Example Output

source name  characteristics[organism]  characteristics[biological replicate]  assay name  comment[data file]
Sample 1     Arabidopsis thaliana       1                                      run 1       E20260218-08.raw

sample      replicate  species               sex  condition  tissue  instrument
PXD084218   1          Arabidopsis thaliana  NA   NA         NA      Orbitrap Eclipse

Output Structure

output_directory/
├── report.md                  # Commands run and what each returned
├── result.json                # Machine-readable envelope
├── download_pride.sh          # Runnable bash + SLURM download script
├── tables/
│   └── metadata.tsv           # Standardised sample x replicate table
├── downloads/                 # (optional) only with --command download
└── reproducibility/
    ├── commands.sh            # Exact command to reproduce
    ├── environment.yml        # Environment snapshot
    └── checksums.sha256       # SHA-256 of every artifact

The SDRF is written as <accession>.sdrf.tsv at the output root; its name depends on the accession, so it is not listed as a fixed path above.

Dependencies

Required: Python >= 3.10 only. The vendored client is standard library.

Optional: wget or curl on the machine that runs the generated script; unzip if --unzip is used; sbatch if the script is submitted.

Gotchas

• Gotcha 1: You will want to name the sample sheet something.tsv or .sdrf. Do not. quantms rejects anything but .sdrf.tsv, so the skill rewrites the extension and prints a note. Do not "fix" the name afterwards.
• Gotcha 2: A generated minimal SDRF is a scaffold, not an answer. The acquisition method, disease, instrument, tolerances, enzyme, modifications, organism part and factor value are placeholders. Tell the user to review them before running quantms; the skill prints the same warning. You will want to fill characteristics[disease] from the project's disease list. Do not. PRIDE lists diseases per project, not per sample, so one value would label a case/control study's controls with the diagnosis. The skill prints the list; set the value per sample. Likewise, pass --acquisition only when the user knows it. Otherwise it stays not available, including in the columns added to a submitter SDRF.
• Gotcha 3: You will assume every project has a submitter SDRF. Many do not — the demo project is one. --from auto silently falls through to generating one, so check which path was taken before treating the columns as author-curated.
• Gotcha 4: File bytes and submitter SDRFs live on ftp.pride.ebi.ac.uk, not on www.ebi.ac.uk where the API is. A network that allows the API can still block downloads. If download fails while metadata works, that is the cause, not a bad accession. Both hosts need allowlisting on TCP/443; the ftp. name is historical and no FTP port is used. See docs/data-handling.md.
• Gotcha 5: download-script writes a script and downloads nothing. Proteomics RAW files are routinely tens of gigabytes; never run or submit it without telling the user the file count and total size first. It emits only https:// locations (ftp:// is rewritten first). Aspera and other non-URL locations are skipped with a warning. This is deliberate: quoting stops shell expansion, but a server value starting with - would still reach curl/wget as an option. download likewise refuses non-http(s) URLs. If every file is skipped, the project has no https location. Report that rather than working around it.
• Gotcha 6: Upstream's --out defaults were relative to the working directory. Here every path resolves under --output.

Safety

• Local-first: no user data is ever transmitted. This skill sends a public accession or the keyword you typed to www.ebi.ac.uk and receives public archive data. Nothing of yours leaves the machine, satisfying ClawBio Safety Rule 1 by construction. See docs/data-handling.md.
• Credentials: none. PRIDE's public API needs no key.
• Execution is opt-in: download-script only writes a file.
• Disclaimer: every report carries the ClawBio medical disclaimer.
• Overwrite: the skill warns on stderr before overwriting an output directory.
• Audit trail: every run writes reproducibility/.

Agent Boundary

The agent dispatches, explains, and asks before anything is executed. The skill executes. The agent must not present generated SDRF placeholders as curated values, must not invent instrument or modification terms, and must not run or submit a download script without explicit confirmation.

Integration with Bio Orchestrator

Trigger conditions: the orchestrator routes here on a PXD/PRD accession or an explicit mention of PRIDE or ProteomeXchange.

Chaining partners:

• proteomics-de: differential expression once the quantities exist.
• proteomics-clock: organ ageing from Olink NPX, a different input but the same domain.
• biostudies-fetch: PRIDE projects are cross-referenced from BioStudies.
• article-data-fetcher: upstream producer. It resolves a DOI or PMID to the repository accessions a paper deposited. When the user starts from a paper rather than an accession, run it first and hand the accessions here. It downloads files and writes a manifest.json, but it does not harmonise sample annotation into metadata.tsv — that is this skill's job, so the two chain rather than compete.

Maintenance

• Update trigger: when an archive host changes an endpoint this skill calls. Not on a calendar — a fixed cadence either fires when nothing has changed or misses a break the week after it lands. The staleness signals below are the trigger.
• How a break surfaces: from a live call, not from CI. The demo and the tests run offline from committed fixtures, so they stay green after an endpoint changes. Treat an unexpected HTTP error or an empty result on a real accession as the signal, then re-check the fixtures against the live API.
• Staleness signals: the API moving past v3; the quantms minimal-SDRF column set changing; publicFileLocations dropping the FTP protocol entry.
• Known debt: the harmonisation helpers are duplicated across the archive skills rather than shared, deliberately, so each stays easy to re-sync with upstream. PRIDE also keeps its own download-script rather than the shared samplesheet-driven emitter, because it is driven by the project file list and supports unzip.
• Deprecation: if PRIDE ships an official Python client covering these commands, wrap it instead of the REST API.

Citations

• PRIDE Archive and its REST API v3.
• quantms minimal SDRF; the 19-column contract this skill targets.
• Demo fixture: PXD084218, Arabidopsis thaliana proteomics, licensed CC0.
• Ported from UKDRI/informatics_data_skills @ 7cc3e6e (pride/), © 2026 UK Dementia Research Institute, MIT.