plotall | R Documentation |
RT vs. m/z scatterplot marking isotope pattern and adduct group peaks.
plotall(pattern, adduct)
pattern |
List of type pattern produced by |
adduct |
List of type adduct produced by |
Martin Loos
pattern.search
adduct.search
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)
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