Reads in a list of mzXML or mzML files as an XCMS Set object. Then either forms for ungrouped and unfilled output or groups and fills the data. In both cases the script then writes the output to a csv.
- Load in functions and needed library. To do this run lines 1-20.
- Update files list with new positive and/or negative mode files, starting line 23. You will need to uncomment these sections of code.
- Run remainder of the script
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.