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The pyOpenMS skill provides a comprehensive Python interface for high-performance mass spectrometry data analysis within Claude. It enables sophisticated LC-MS/MS workflows, including raw data parsing (mzML/mzXML), signal smoothing, peak picking, and feature detection. Designed for bioinformaticians and researchers, this skill facilitates chemical mass calculations, protein digestion, and peptide identification while integrating seamlessly with established tools like Comet and Mascot. It is particularly useful for automating complex proteomics or metabolomics pipelines and performing detailed isotopic distribution analysis.
