ExperimentParam: Experiment setup

In ZhuMetLab/MetTracer: Tracing isotope labelled metabolites

Experiment setup

Description

Experiment setup

Usage

ExperimentParam(
  wd = ".",
  d.res = file.path(wd, "Result"),
  d.tmp = file.path(d.res, "tmp"),
  element.trace = "12C",
  element.label = "13C",
  equipment = c("QTOF", "Obiwarp"),
  resolution = NULL,
  ppm = 25,
  res.define = 400,
  nSlaves = 4
)

Arguments

wd	Working directory for experiment to be processed
d.res	Folder for storing results
d.tmp	Folder for storing files when processing. By default, it is the same with wd
element.trace	Monoisotope elements, e.g., 12C or 14N
element.label	Isotope labelled elements, e.g., 13C or 15N
equipment	Equipment type: QTOF/Obiwarp
resolution	Resolution of equipment, for QTOF, it is 3000 by default
ppm	Mass to charge value (m/z) tolerance for MS1 ions
res.define	Where the PPP resolution starts from. For QTOF equipments in zhulab, it is set to 400
nSlaves	Number of threads to be used

Value

an ExperimentParam object

ZhuMetLab/MetTracer documentation built on Sept. 11, 2022, 1:11 p.m.