nontarget (version 1.9)

plotall: RT vs. m/z scatterplot marking isotope pattern and adduct group peaks.

Description

RT vs. m/z scatterplot marking isotope pattern and adduct group peaks.

Usage

plotall(pattern, adduct)

Arguments

pattern

List of type pattern produced by pattern.search.

adduct

List of type adduct produced by adduct.search.

See Also

pattern.search adduct.search

Examples

data(peaklist);
data(adducts);
data(isotopes);
iso<-make.isos(isotopes,
	use_isotopes=c("13C","15N","34S","37Cl","81Br","41K","13C","15N","34S","37Cl","81Br","41K"),
	use_charges=c(1,1,1,1,1,1,2,2,2,2,2,2))
pattern<-pattern.search(
  peaklist,
  iso,
  cutint=10000,
  rttol=c(-0.05,0.05),
  mztol=2,
  mzfrac=0.1,
  ppm=TRUE,
  inttol=0.2,
  rules=c(TRUE,TRUE,TRUE,TRUE,TRUE,TRUE,TRUE,TRUE,TRUE,TRUE,TRUE),
  deter=FALSE,
  entry=50
);
adduct<-adduct.search(
  peaklist,
  adducts,
  rttol=0.05,
  mztol=3,
  ppm=TRUE,
  use_adducts=c("M+K","M+H","M+Na","M+NH4"),
  ion_mode="positive"
);
plotall(pattern, adduct)