Single file peak identification for parallel processing and/or RAM optimization

This function is a wrapper for the xcms::findChromPeaks function. It is designed to be used in parallel processing and/or RAM optimization and performs peak picking on single files and saves the output as rsd file. To concatenate the rsd outputs into a traditional XCMSnExp object use the cFindChromPeaksStep2 function.

Usage

cFindChromPeaksStep1(input, output, cwp, groups = NULL)

Arguments

input

filename of the mzML input files

output

output filename

cwp

native xcms CentWaveParam() function output

groups

the group variable used in new("NAnnotatedDataFrame", data.frame("sample_name"=sample_name, "group"=groups)). The group variable might bias the analysis and in big datasets it might beneficial setting groups = None to do random group assignment

Value

peak picked files in the save_folder location (./tmp/peaks_identified)