rawPlot: Read all scans raw data and plot

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

Read all scans raw data and plot

Description

Raw data plotting per each file and compound for quality control pourposes

Usage

rawPlot(
  SampleFiles = NULL,
  formulaTable = NULL,
  RTwin = 5,
  topdf = NULL,
  plotall = F
)

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
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

It is recommended to run it for a few files only, plotting a high number of files may take time.

jcapelladesto/isoSCAN documentation built on Feb. 5, 2025, 1:48 a.m.