annotate_SIRIUS | R Documentation |
Function to identify feature structure using SIRIUS (https://bio.informatik.uni-jena.de/software/sirius/)
annotate_SIRIUS(ms2.data, groupdir = "grouped_mgf", outdir = "SIRIUS_output")
ms2.data |
An MSpectra object containing MS2 data |
ms1.data |
A data.frame containing the columns 'FeatureID', 'mzmed' and 'rtmed' |
A dataframe with the results of annotation using SIRIUS
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