groupCorr-methods {CAMERA}R Documentation

EIC correlation grouping of LC/ESI-MS data

Description

Grouping the peaks after the correlation of the EICs into pseudospectragroups for a xsAnnotate object. Return a xsAnnotate object with group information.

Usage

 groupCorr(object,cor_eic_th=0.75)

Arguments

object the xsAnnotate object
cor_eic_th correlation threshold for the EIC correlation

Details

The algorithm correlates the EIC of a every peak with all others, to find the peaks that belong to one substance. LC/MS data should grouped with groupFWHM first. This step reduce the runtime a lot and increased the number of correct classifications.

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)
 an   <- groupCorr(an)

[Package CAMERA version 1.0.0 Index]