saveMSnRaw

dataFolder

save MS2 and MS3 data for later processing such as ion tree construction. 
R binary files "MS2RAW.Rdata" and "MS3RAW.Rdata" may be found in the current folder, which can be reloaded.

utilities

Ion fragmentation provides structural information for metabolite identification. This package provides utility functions to manage and analyse MS2/MS3 fragmentation data from ion trap mass spectrometry. It was designed for high throughput metabolomics data with many biological samples and a large numer of ion trees collected. Tests have been done with data from low-resolution mass spectrometry but could be readily extended to precursor ion based fragmentation data from high resoultion mass spectrometry.

saveMSnRaw: Retrieve MS2 and MS3 data and save as R binary in the current folder

Description

Usage

Arguments

Value

Examples