createanClique {cliqueMS} | R Documentation

## 'createanClique' generic function to create an object of class 'anClique'.

### Description

`createanClique` creates an 'anClique' object from processed m/z data.e

### Usage

    createanClique(mzdata)

    ## S4 method for signature 'xcmsSet'
    createanClique(mzdata)

    ## S4 method for signature 'XCMSnExp'
    createanClique(mzdata)

### Arguments

`mzdata` | An object with processed m/z data. See methods for valid class types.

### Value

An 'anClique' S4 object with all elements to perform clique grouping, isotope annotation and adduct annotation.

### Methods (by class)

- `xcmsSet`: Method for 'xcmsSet' object

- `XCMSnExp`: Method for 'XCMSnExp' object

### See Also

`anClique`

### Examples

    ## Using a 'XCMSnExp' object
    mzfile <- system.file("standards.mzXML", package = "cliqueMS")
    library(xcms)
    mzraw <- readMSData(files = mzfile, mode = "onDisk")
    cpw <- CentWaveParam(ppm = 15, peakwidth = c(5,20), snthresh = 10)
    mzData <- findChromPeaks(object = mzraw, param = cpw)
    ex.anClique <- createanClique(mzdata = mzData)
    show(ex.anClique)

    ## Using a 'xcmsSet' object
    mzfile <- system.file("standards.mzXML", package = "cliqueMS")
    msSet <- xcms::xcmsSet(files = mzfile, method = "centWave",
    ppm = 15, peakwidth = c(5,20), snthresh = 10)
    ex.anClique <- createanClique(msSet)

[Package cliqueMS version 1.8.0 Index]