Analyze mass spectrometry LC-MS data
pyopenmsskillsetup L3★27,559
K-Dense-AI/scientific-agent-skills ↗What it does
Process mass spectrometry proteomics data (file I/O, feature detection, identification)
Best for
When you need end-to-end proteomics analysis with feature detection and ID integration.
Inputs
- · mzML/mzXML/TraML files
- · FASTA protein database
- · search engine results (pepXML, idXML)
Outputs
- · FeatureMap
- · peptide/protein identifications
- · quantified features
Requires
- · Python
- · PyOpenMS
- · OpenMS C++ library
Preconditions
- · raw MS files in standard format
- · protein database available
Failure modes
- · unsupported file format
- · algorithm parameters not validated on sample data
Trust signals
- · handles multiple MS file formats
- · integrates peptide ID engines
- · exports to Pandas