matchms - Mass Spectrometry Data Processing and Analysis
Process mass spectrometry data files, calculate spectral similarities, and standardize metadata for metabolomics analysis.
Tags
Updated: 2026-02-11Capabilities
Typical Inputs
Typical Outputs
What this skill does
- Import mass spectrometry data
- Export processed spectra
- Apply spectrum filters
- Normalize peak intensities
- Calculate spectral similarities
- Build processing pipelines
- Standardize metadata
- Compare spectra
- Create spectrum objects
Inputs
- mzML files
- MGF files
- MSP files
- JSON files
- Mass spectrometry data
- Spectral libraries
Outputs
- Processed spectra files
- Similarity scores
- Standardized metadata
- Filtered spectra
- Analysis reports
Requirements
- Python environment
- matchms library installed
- Mass spectrometry data files