single-cell-proteomics-data-processing

single-cell-proteomics-data-processing is a skill for Claude Code, Codex from PharMolix/OpenBioMed. It costs 0 tokens per session (3,034 once invoked), scanned A, original, MIT.

A processing guide for raw LC-MS/MS mass-spectrometry files, which record chemical measurements used in proteomics research. It uses pyOpenMS to inspect spectra, prepare them, extract features, and create quality-control results.

In plain words
What is it for?
Use it to process mzML, mzXML, or vendor-converted files, create centroided spectra, separate MS1 and MS2 data, detect features, extract ion chromatograms, convert formats, and generate QC plots.
Why use it?
It ensures the data is in the right form before later steps identify and measure peptides. It also checks important run-level quality measures and distinguishes profile data from centroided data.

Skill for Claude CodeCodex

Written for no agent in particular: nothing here depends on one.

About the project

OpenBioMed is an agent platform and toolkit collection for biomedical research and drug discovery, covering areas such as molecular design, protein analysis, and single-cell data analysis. It is intended for researchers and provides the biomedical skills listed in the catalogue as workflows for Claude Code.

PharMolix/OpenBioMed · 1,107 stars · on GitHub

Install

Getting it into your agent

One page per mod, every tool's command on it. A separate URL per tool would split the same page into five that compete with each other.

agentmods
npx agentmods add skills/pharmolix/openbiomed/single-cell-proteomics-data-processing
Any agent
npx skills add PharMolix/OpenBioMed --skill single-cell-proteomics-data-processing
Clone the repo
git clone --depth 1 https://github.com/PharMolix/OpenBioMed

Made for: Claude Code, Codex.

Wrote this? Show the measurements

A badge with what this costs and how it scanned, read live from this page, so it follows the numbers instead of freezing them. Markdown for a README, HTML for a documentation site or a project page.

agentmods badge for single-cell-proteomics-data-processing

README.md
[![agentmods](https://agentmods.dev/badge/skills/pharmolix/openbiomed/single-cell-proteomics-data-processing.svg)](https://agentmods.dev/skills/pharmolix/openbiomed/single-cell-proteomics-data-processing)
Your own site
<a href="https://agentmods.dev/skills/pharmolix/openbiomed/single-cell-proteomics-data-processing"><img src="https://agentmods.dev/badge/skills/pharmolix/openbiomed/single-cell-proteomics-data-processing.svg" alt="Measured on agentmods" height="20"></a>
Per session 0 Skills are progressive disclosure: only the name and description are preloaded; the body loads when the skill is used.
When invoked 3,034 The whole file, excluding the scripts and references it only reads on demand.
Security scan A 0 findings. Scan, not verified.
Origin original No closer match found in the catalogue.
Token cost

What it costs to keep this loaded

Counted locally with the o200k_base tokenizer, which is exact for GPT models; Claude uses its own tokenizer and its counts differ. Treat this as one consistent yardstick across the catalogue rather than a bill. Prices are per million input tokens.

ModelPer sessionOnce invoked
Fable 5.1 $0.00000 $0.03034
Opus 5 $0.00000 $0.01517
Sonnet 5 $0.00000 $0.00607
Haiku 4.5 $0.00000 $0.00303

Measured 6d ago against content hash d17b2c963477, method: parsed. Prices are Anthropic first-party input rates as of 2026-09-06, from the pricing page.

Security

Grade A, and why

single-cell-proteomics-data-processing scanned grade A with 0 findings against 26 rules in 11 categories — prompt injection, anti-refusal, data exfiltration, privilege escalation, supply chain, agent snooping, system-prompt leakage, SSRF and excessive agency — measured 6d ago.

A static scan of the body, not an audit. Every finding is printed with the line that produced it so you can judge whether it matters here. A mod is markdown that instructs an agent; that is exactly why what it instructs is worth reading.

Nothing flagged

None of the 26 patterns this scan looks for appear in this file: no shell pipes, no recursive deletes, no credential paths, no hidden text, no instruction-override or anti-refusal phrasing, no agent-config snooping. That is not a guarantee, it is the absence of the things that are checkable.

skills/single-cell-proteomics-data-processing/SKILL.md · 282 lines

How it starts

The opening of the file, as written. The whole thing — 282 lines — stays where its author put it; the contents beside it link to each section on GitHub.

Raw Mass Spectrometry Data Processing (pyOpenMS)

Load, inspect, centroid, and extract features from raw LC-MS/MS data files. This is Step 1 of the proteomics pipeline — all downstream peptide identification and quantification steps require centroided, quality-checked spectra as input.


What it does

  1. Loads raw or profile-mode spectra from mzML, mzXML, or vendor-converted files using pyOpenMS
  2. Inspects run-level QC metrics: total ion current (TIC), scan counts per MS level, m/z and RT ranges
  3. Converts profile-mode spectra to centroid mode using PeakPickerHiRes
  4. Extracts MS1 and MS2 spectra separately for downstream use
  5. Detects LC-MS features (isotope envelopes) using FeatureFinder for label-free quantification
  6. Extracts extracted ion chromatograms (EIC) for targeted m/z values
  7. Converts between mzML, mzXML, and featureXML formats
  8. Generates per-run QC plots (TIC, scan distribution, peak width)

Why this exists

If you ask a general AI to "process my mzML files for proteomics," it will:

  • Not distinguish between profile-mode and centroid-mode spectra (critical difference for downstream tools)
  • Use incorrect pyOpenMS API calls (the API changed significantly between versions 2.x and 3.x)
  • Skip quality control checks that reveal injection failures, column issues, or contamination
  • Not explain the difference between peak picking and feature detection, or when each is needed
  • Produce centroided output without verifying peak width or mass accuracy

This skill encodes the correct methodological decisions:

  • Checks MS level distribution before processing to confirm DDA vs. DIA acquisition mode
  • Applies PeakPickerHiRes (correct algorithm) not PeakPickerIterative (for Orbitrap data)
  • Separates MS1 feature detection (for LFQ) from MS2 centroiding (for database search)
  • Generates TIC plots to visually confirm run quality before investing compute time in search
  • Uses pyOpenMS 3.x API (MSExperiment, MzMLFile) which differs from 2.x

Read the full file on GitHub · 282 lines

Changes

What this file has done since we first saw it

Hashed on every crawl. A supply-chain change to an agent config is a question of when, not whether, so the history is kept rather than the latest state alone.

  1. 6d ago First seen · 282 lines · 0 tokens per session scan A d17b2c963477

Subscribe to this mod's changes

single-cell-proteomics-data-processing is a skill published in the GitHub repository PharMolix/OpenBioMed (1,107 stars, last pushed 1mo ago), licensed MIT. It costs nothing until one of its globs matches a file; then it loads 3,034 tokens. A static security scan graded it A with 0 findings. No closer match exists in the catalogue, so it is treated as the original; first seen 2026-08-30.

Related

Other skills, from other repositories

instrument-data-to-allotrope

Convert laboratory instrument output files (PDF, CSV, Excel, TXT) to Allotrope Simple Model (ASM) JSON format or flattened 2D CSV. Use this skill when scientists need to standardize instrument data for LIMS systems, data lakes, or downstream analysis. Supports auto-detection of instrument types. Outputs include full…

anthropics/knowledge-work-plugins · 123 tokens

matlab

Build, review, migrate, and safely plan MATLAB or GNU Octave numerical workflows, including arrays, tabular/time data, tests, projects, graphics, MAT files, and explicit Python interoperability.

K-Dense-AI/scientific-agent-skills · 42 tokens

exploratory-data-analysis

Perform bounded, local exploratory analysis of explicitly supported scientific files. Use for redacted CSV/TSV/JSON profiles; optional NumPy, HDF5, FASTA/FASTQ, and basic image metadata inspection; missingness/leakage audits; outlier and transformation sensitivity; and rigorous EDA report scaffolds. Other domain…

K-Dense-AI/scientific-agent-skills · 83 tokens

phylogenetics

Build and analyze phylogenetic trees using MAFFT (multiple alignment), IQ-TREE 2 (maximum likelihood), and FastTree (fast NJ/ML). Visualize with ETE3 or FigTree. For evolutionary analysis, microbial genomics, viral phylodynamics, protein family analysis, and molecular clock studies.

K-Dense-AI/scientific-agent-skills · 68 tokens

research-engineer

An uncompromising Academic Research Engineer. Operates with absolute scientific rigor, objective criticism, and zero flair. Focuses on theoretical correctness, formal verification, and optimal implementation across any required technology.

davila7/claude-code-templates · 43 tokens

mapping-to-snomed

Maps clinical concept spans extracted by OpenMed to SNOMED CT concepts through a USER-SUPPLIED terminology server (the user's own Ontoserver, Snowstorm, or UMLS/UTS), never a bundled vocabulary. Use when the user wants to code findings, disorders, procedures, body structures, or substances to SNOMED CT, run an ECL…

maziyarpanahi/openmed · 205 tokens