What problem does it solve?
This Skill provides a comprehensive platform for analyzing complex mass spectrometry data, enabling researchers to process raw spectra, identify peptides and proteins, and quantify metabolites.
Core Features & Use Cases
- Data Processing: Read, write, and process various mass spectrometry file formats (mzML, mzXML, etc.).
- Feature Detection: Identify and link chromatographic features for quantitative analysis.
- Identification: Perform peptide and protein identification using integrated search engines and FDR control.
- Metabolomics: Specialized workflows for untargeted metabolomics, including adduct detection and compound annotation.
- Use Case: Analyze a proteomics dataset to identify and quantify thousands of proteins, then export the results for downstream statistical analysis.
Quick Start
Use the pyopenms skill to load the file 'sample.mzML' and print the number of spectra.