groupPeaks,purityD-method {msPurity} | R Documentation

## Using purityD object, group multiple peaklists by similar mz values (mzML or .csv)

### Description

Uses a purityD object to group all the peaklists in the 'avPeaks$processing' slot

### Usage

    ## S4 method for signature 'purityD'
    groupPeaks(Object, ppm = 3, sampleOnly = FALSE, clustType = "hc")

### Arguments

`Object` | object = purityD object
`ppm` | numeric = The ppm tolerance to group peaklists
`sampleOnly` | = if TRUE the sample peaks will only be grouped
`clustType` | = if 'hc' the hierarchical clustering, if 'simple' the mz values will just be grouped using a simple 1D method

### Value

data.frame of peaklists grouped together by mz

### Examples

    datapth <- system.file("extdata", "dims", "mzML", package="msPurityData")
    inDF <- Getfiles(datapth, pattern=".mzML", check = FALSE, cStrt = FALSE)
    ppDIMS <- purityD(fileList=inDF, cores=1, mzML=TRUE)
    ppDIMS <- averageSpectra(ppDIMS)
    grpedP <- groupPeaks(ppDIMS)

[Package msPurity version 1.20.0 Index]