findIsotopes-methods {CAMERA} | R Documentation |
Annotate isotope peaks for a xsAnnotate object. Returns a xsAnnotate object with annotated isotopes.
object |
the xsAnnotate object |
maxcharge |
max. number of the isotope charge |
maxiso |
max. number of the isotope peaks |
ppm |
ppm error for the search |
mzabs |
allowed variance for the search |
Isotope peaks are annotated for a xsAnnotate object according to given rules (maxcharge, maxiso). The algorithm benefits from a earlier grouping of the data, with groupFWHM and groupCorr. Generates a list of all possible isotopes, which is stored in object@isotopes.
findIsotopes(object,maxcharge=3,maxiso=3,ppm=5,mzabs=0.01)
Carsten Kuhl <ckuhl@ipb-halle.de>
library(CAMERA) file <- system.file('mzdata/MM14.mzdata', package = "CAMERA") xs <- xcmsSet(file, method="centWave", ppm=30, peakwidth=c(5,10)) an <- xsAnnotate(xs) an <- groupFWHM(an) an <- findIsotopes(an)