matchms - Mass Spectrometry Data Processing and Analysis Tool
Process and analyze mass spectrometry data with spectral similarity calculations and metadata harmonization
Tags
Updated: 2026-02-11Capabilities
Typical Inputs
Typical Outputs
What this skill does
- import mass spectrometry data
- export processed spectra
- apply spectrum filters
- calculate spectral similarities
- build processing pipelines
- manage spectrum metadata
Inputs
- mzML files
- MGF files
- MSP files
- spectral data
- JSON files
Outputs
- processed spectra
- similarity scores
- best matches
- processing pipelines
- filtered data
Requirements
- Python environment
- matchms library
- chemistry dependencies for structure processing
