Accurate and fast data processing for metabolomics
Project description
MassCube
masscube is an integrated Python package for liquid chromatography-mass spectrometry (LC-MS) data processing.
- Documentation: https://huaxuyu.github.io/masscubedocs/
- Source code: https://github.com/huaxuyu/masscube/
- Bug reports: https://github.com/huaxuyu/masscube/issues/
It provides:
- High performance feature detection based on signal clustering.
- Comprehensive feature quality evaluation.
- Confident annotation of isotopes, adducts, and in-source fragments.
- Ultra-fast annotation of MS/MS spectra supported by Flash Entropy Search
Installation
pip install masscube
To upgrade masscube to the latest version:
pip install masscube --upgrade
Quick start
Start your untargeted metabolomics data processing from here
Contribute to masscube
The masscube project is excited to have your expertise and passion on board!
We value all enhancements or corrections. For those thinking about making significant contributions to the codebase, we encourage you to get in touch with us!
- Huaxu Yu, hxuyu@ucdavis.edu
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