xcmsProcessingMS1

Import msDataFiles, filter ion_mode, find peaks using centWaveParam, correct RT, group peaks using peaksGroup, fill peaks by xcms at MS1 Level

Usage

xcmsProcessingMS1(
  xcms.xcms,
  ion_mode = NA,
  xcms_param = list(findChromPeaks = xcms::CentWaveParam(), groupChromPeaks =
    xcms::PeakDensityParam(sampleGroups = "A")),
  adjustRT = T,
  chromPeaks_fix_mz_ppm = NULL,
  chromPeaks_max_mz_ppm = NULL,
  BPPARAM = BiocParallel::SnowParam(workers = 4, progressbar = T),
  ...
)

Arguments

ion_mode

to filter ion_mode, 1: positive, 0: negative, import when scans with both pos and neg

msDataFiles

char ms file (full) paths

peaksGroup

vector to xcms::PeakGroupsParam(sampleGroups), should contain "QC"

centWaveParam

xcms::CentWaveParam()

Value

xcms