Elizabeth Parker 2022
Code to help with processing untargeted metabolomics of plant secondary metabolites or E.coli metabolites
Data pre-processed with either XCMS or XCMSonline (LCMS), in-house macro (MALDI, DI-MS), MassUp or MALDIquant (MALDI)
Code can prepare a peak intensity table for undirected and directed analysis using: Metabolanalyst, R or SIMCA-P+ (proprietary)