combineMS2.Spectra: combine ions across spectra matched to the same MS1 feature

In WMBEdmands/compMS2Miner: an automatable metabolite identification, visualization and data-sharing R package for high-resolution LC-MS datasets

Description

combine ions across spectra matched to the same MS1 feature

Usage

combineMS2.Spectra(object, ...)

Arguments

mzError	interpeak absolute m/z error for composite spectra signal grouping (default = 0.01)
minPeaks	Minimum number of peaks per composite spectrum (default = 1)
specSimFilter	numeric minimum spectral similarity score (dot product score) between spectra matched to the same MS1 feature (values between 0 to 1) if argument is supplied spectra are only combined if they have a minimum spectral similarity score (default = NULL). If all spectra matched to an MS1 feature are dissimilar from one another the MS2 spectrum with the highest precursor intensity will be returned.
binSizeMS2	numeric MS2 bin size for spectral similarity matching (default = 0.1)
verbose	logical if TRUE display progress bars.

WMBEdmands/compMS2Miner documentation built on May 9, 2019, 10:04 p.m.