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:
- Highly accurate nontargeted peak detection and segmentation.
- Comprehensive feature quality evaluation.
- Confident annotation of feature groups including isotopes, adducts and in-source fragments.
- Annotation of MS/MS spectra via identity search and fuzzy search (i.e. analog search).
Installation
To install masscube, open a terminal and run:
pip install masscube
To upgrade masscube to the latest version, run:
pip install masscube --upgrade
Quick start
Start your nontargeted 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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