matchms - Mass Spectrometry Data Processing and Analysis
Processes mass spectrometry data including importing spectra, standardizing metadata, filtering peaks, and calculating spectral similarities
Tags
Updated: 2026-02-11Capabilities
Typical Inputs
Typical Outputs
What this skill does
- import spectra from multiple formats
- standardize metadata fields
- filter and normalize peaks
- calculate spectral similarities
- build processing pipelines
- export processed data
Inputs
- mzML files
- MGF files
- MSP files
- JSON files
- mass spectrometry data
- spectral libraries
Outputs
- processed spectra files
- spectral similarity scores
- standardized metadata
- analysis pipelines
Requirements
- Python environment
- matchms library installed
- mass spectrometry data files