PyKrev: van Krevelen analysis and beyond

PyKrev is a Python 3 library to help with analysis of high resolution mass spectrometry data.

To install use:

pip install pykrev

Core tutorials:

• PyKrev User Guide

• Batch Analysis with PyKrev

Other tutorials:

• Making UpSet plots with PyKrev and UpSetPlot

• Performing PCA with PyKrev and scikit-learn

• PageRank and network visualisation on FT-ICR-MS data

• Raw FT-MS data processing with PyKrev and CoreMS

Version 1.2.4 Changelog

Citation: Kitson, E., Kew, W., Ding, W. & Bell, N. G. A. PyKrev: A Python Library for the Analysis of Complex Mixture FT-MS Data. J. Am. Soc. Mass Spectrom. jasms.1c00064 (2021) doi:10.1021/jasms.1c00064

Please send any feedback or comments to ezra.kitson@ed.ac.uk