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

Installation

spectrum_utils requires Python version 3.6+ and can be installed with pip or conda.

Using conda:

conda install -c bioconda spectrum_utils

Using pip:

pip install spectrum_utils

Documentation

Please see the documentation for detailed installation instructions, usage examples, the API reference, and more information.

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.