spectrum_utils
About spectrum_utils
spectrum_utils is a Python package for efficient mass spectrometry data processing and visualization.
spectrum_utils contains the following features:
Spectrum loading from online proteomics and metabolomics data resources using the Universal Spectrum Identifier (USI) mechanism.
Common spectrum processing operations (precursor & noise peak removal, intensity filtering, intensity scaling) optimized for computational efficiency.
Annotating observed spectrum fragments using the ProForma 2.0 specification for (modified) peptidoforms.
Publication-quality, fully customizable spectrum plotting and interactive spectrum plotting.
See the documentation for more information and detailed examples on how to get started with spectrum_utils for versatile mass spectrometry data manipulation in Python.
Citation
spectrum_utils is freely available as open source under the Apache 2.0 license.
When using spectrum_utils, please cite the following manuscripts:
Wout Bittremieux. “spectrum_utils: A Python package for mass spectrometry data processing and visualization.” Analytical Chemistry 92, 659–661 (2020) doi:10.1021/acs.analchem.9b04884.
Wout Bittremieux, Lev Levitsky, Matteo Pilz, Timo Sachsenberg, Florian Huber, Mingxun Wang, Pieter C. Dorrestein. “Unified and standardized mass spectrometry data processing in Python using spectrum_utils” bioRxiv (2022).