Updated versions of this code can be found in the VanKrevelenLocal repo. This code will remain available incase its functionality is more useful to some users.

Code developed by the Hegeman Lab for Van Krevelen analysis of mass spec data. The Hegeman Lab (The Plant Metabolomics Lab at the University of Minnesota) applies mass spectrometry-based metabolomics to plant biological or agricultural questions while simultaneously trying to improve current metabolomics methodologies. In particular we are interested in way that stable isotopes and mass spectrometry can be used for methodological innovations in metabolomics and the analysis of metabolic flux.

If you use this tool or any others associated with the Hegeman Lab we ask that you please reference us in your projects.

Further, if you are looking to contribute to this code base please make sure to follow the conventions used through out the existing code and also please be thorough in commenting your code. This script is intended to be user friendly, particularly to non-programmers as many individuals who will want to use this tool will have little to no background in programming. Also if your contributions lead to any changes in how the program is used, then also update the instructions.

Speaking of being user friendly... The directions for the recommended workflow for this script are held in the VanKrevelenDirections.txt file in this repo.

This code was developed for use in the Hegeman Lab at the University of Minnesota Twin-Cities. If you use this script in your research, please don't forget to acknowledge or cite publication. Additionally, if there are any questions about how to use this code, feel free to contact Adrian Hegeman.