matchms - Mass Spectrometry Data Processing and Analysis
Process mass spectrometry data, calculate spectral similarities, and harmonize metadata for metabolomics and MS analysis
Tags
Updated: 2026-02-11Capabilities
Typical Inputs
Typical Outputs
What this skill does
- import mass spectrometry data
- export processed spectra
- filter and process spectra
- calculate spectral similarities
- build processing pipelines
- manage spectrum metadata
Inputs
- mzML files
- MGF files
- MSP files
- JSON spectra
- mass spectrometry data
Outputs
- processed spectra files
- similarity scores
- standardized metadata
- spectral libraries
- analysis reports
Requirements
- Python environment
- matchms library
- mass spectrometry data files