getpspectra {CAMERA} | R Documentation

## Retrieve a peaklist of one or more pseudospectra

### Description

Extract group(s) from a xsAnnotate object. Returns a peaklist as matrix with annotated peaks.

### Usage

      getpspectra(object, grp)

### Arguments

`object` | xsAnnotate object
`grp` | index of pseudo-spectra-group

### Details

xsAnnotate groups LC/MS Peaklist after there EIC correlation and FWHM. These function extract one or more of these so called "pseudo spectra groups" with include the peaklist with there annotations. The annotation depends on a before called findAdducts() ( and findIsotopes() ). Important: The indices for the isotopes, are those from the whole peaklist. See `getPeaklist()`.

### Author(s)

Carsten Kuhl <ckuhl@ipb-halle.de>

### Examples

      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)
      #For one group
      peaklist <- getpspectra(an, 1)
      #For two groups
      peaklist <- getpspectra(an, c(1,2))

[Package CAMERA version 1.36.0 Index]