getpspectra {CAMERA} | R Documentation |
Extract one group from a xsAnnotate object. Returns a peaklist with annotated peaks.
getpspectra(object,grp)
object |
xsAnnotate object |
grp |
index of pseudo-spectra-group |
xsAnnotate groups LC/MS Peaklist after there EIC correlation and FWHM. These function extract one of these so called "pseudo spectra groups" with include the peaklist with there annotations. The annotation depends on a before called findAdducts() ( and findIsotopes() ).
Attention: The indices for the isotopes, are those from the whole peaklist. See getPeaklist()
.
Carsten Kuhl <ckuhl@ipb-halle.de>
library(CAMERA) file <- system.file('mzdata/MM14.mzdata', package = "CAMERA") xs <- xcmsSet(c(file), method="centWave", ppm=30, peakwidth=c(5,10)) an <- xsAnnotate(xs) an <- groupFWHM(an) peaklist <- getpspectra(an, 1)