In this video I demonstrate batch processing almost 100 direct infusion metabolomics data files. We will be starting with a folder full of Bruker .d MRMS files, and we'll use AutoVectis to make it easy to:
i) batch process these into absorption mode,
ii) then automatically internally recalibrate them, before
iii) batch assigning them, using accurate mass and isotopic fine structure, to automatically select the most likely assignment for each peak in each file.
iv) Finally, I will demonstrate the simple AutoVectis workflow for converting a large number of results files into a single combined database to make it easy to understand how the intensity of each component in the batch varies across the complete batch.
