groupFWHM-methods {CAMERA}R Documentation

FWHM-Grouping of LC/ESI-MS data

Description

Grouping the peaks after the FWHM of the retentiontimes into pseudospectragroups for a xsAnnotate object. Returns a xsAnnotate object with group information.

Usage

 groupFWHM(object,sigma = 6 , perfwhm = 0.6)

Arguments

object the xsAnnotate object
sigma the multiplier of the standard deviation
perfwhm percentage of the width of the FWHM

Details

The FWHM (full width at half maximum) of a peak, will be used for the grouping. Every peak who eluated at the same time as a selected peak, will be part of the group. Same time is defined about the Rt-med +/-FWHM*perfwhm. FWHM is calculated as the product of sigma * standard deviation.

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)

[Package CAMERA version 1.0.0 Index]