findIsotopes-methods {CAMERA} | R Documentation

## Deconvolute/Annotate LC/ESI-MS data

### Description

Annotate isotope peaks for a xsAnnotate object. Returns a xsAnnotate object with annotated isotopes.

### Arguments

`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

### Details

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.

### Methods

object = "xsAnnotate"
  `findIsotopes(object,maxcharge=3,maxiso=3,ppm=5,mzabs=0.01)`

### Author(s)

Carsten Kuhl <ckuhl@ipb-halle.de>

### Examples

     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)

[Package CAMERA version 1.0.0 Index]