Background : Converting individual gas/liquid chromatography mass spectrometry data files into a data matrix of peaks/samples/intensity is an essential step in a standardized metabolomics workflow. For GCMS data files, Automated mass spectral deconvolution and identification system (AMDIS) offers a free solution for extracting peak list for raw data files. Data files can be in native […]
Ideas on 5W1H of metabolomics data mining