Fix overly wide xcms chromPeaks mz window — fix_xcms_chromPeaks_mz

For chromPeaks with abnormal m/z width larger than ppm, this function does not remove peaks. Instead, it recalculates and replaces mzmin and mzmax around peak center mz so final width equals the target ppm window.

Usage

fix_xcms_chromPeaks_mz_width(xcms.xcms, ppm = 20, verbose = TRUE)

Arguments

xcms.xcms: XCMSnExp object.
ppm: numeric ppm threshold/target width, default 20.
verbose: logical, print summary message.

Value

XCMSnExp object with fixed chromPeaks m/z windows.