Mass spectrometry utility functions
Project description
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
- Custom strings
- 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.
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