vanmooylipidomics / LOBSTAHS

Git repository for the R package "LOBSTAHS" (Lipid and Oxylipin Biomarker Screening Through Adduct Hierarchy Sequences)
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Implement ability to run LOBSTAHS on ms data objects other than a CAMERA xsannotate object (with embedded xcmsSet) #13

Open joefutrelle opened 7 years ago

joefutrelle commented 7 years ago

e.g., mzMine data or a simple .csv file Complication here is that we rely heavily on CAMERA’s binning of xcms peakgroups into pseudospectra LOBSTAHS adduct hierarchy screening is performed first within each pseudospectrum, then isomers are identified throughout the dataset