groupPeaksEx {msPurity} | R Documentation

## Group peaklists from a list of dataframes

### Description

Group a list of dataframes by their m/z values

### Usage

    groupPeaksEx(peak_list, cores = 1, clustType = "hc", ppm = 2)

### Arguments

`peak_list` | list = A list (named) of dataframes consiting of a least the following columns ['peakID', 'mz']
`cores` | = number of cores used for calculation
`clustType` | = if 'hc' the hierarchical clustering, if 'simple' the mz values will just be grouped using a simple 1D method
`ppm` | numeric = The ppm tolerance to group peaklists

### 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]