meanRawPlot: Read all scans raw data, calculate average spectrum for all...

In jcapelladesto/isoSCAN: Automatic Integration for GC-CI-MS Isotope Labeling Data

Description

Raw data plotting average spectra of all SampleFiles and compound for quality control pourposes

Usage

meanRawPlot(
  SampleFiles = NULL,
  formulaTable = NULL,
  RTwin = 5,
  ppm = 1,
  rm.bg = FALSE,
  topdf = NULL
)

Arguments

SampleFiles	List of files to be plotted (see base::list.files())
formulaTable	Data.frame including CompoundName, Formula, mz, RT and NumAtoms (see buildFormulaTable)
RTwin	Retention time window (in seconds) to extract the metabolite isotopologues (default=5)
ppm	Expected realtive mass accuracy if high-resolution data is used (default=1)
rm.bg	Remove background noise intensity (default=FALSE)
topdf	File directory where the plots will be saved in pdf format. One pdf file per mzML file in Sampledir

Value

Plots per each file and compound including all isotopologues

Note

To plot files separately, use rawPlot

jcapelladesto/isoSCAN documentation built on Jan. 30, 2022, 8:36 p.m.