spectrum_utils

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About spectrum_utils

spectrum_utils is a Python package for efficient MS/MS spectrum processing and visualization.

spectrum_utils contains the following features:

  • Spectrum processing

    • Precursor & noise peak removal

    • Intensity filtering

    • Intensity scaling

    • Peak annotations

      • Modification-aware (static & variable) peptide fragments

      • SMILES-based molecules

      • Mass-over-charge values

  • Spectrum plotting

    • Fully customizable individual spectrum plots

    • Mirror plot of matching spectra

    • Interactive spectrum plots

See the documentation for more information and detailed examples on how to use this functionality.

Citation

spectrum_utils is freely available as open source under the Apache 2.0 license.

When using spectrum_utils please cite the following manuscript:

Wout Bittremieux. “spectrum_utils: A Python package for mass spectrometry data processing and visualization.” Analytical Chemistry 92 (1) 659-661 (2020) doi:10.1021/acs.analchem.9b04884.

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