createanClique | R Documentation |
createanClique
creates an 'anClique' object from processed m/z data.e
createanClique(mzdata)
## S4 method for signature 'xcmsSet'
createanClique(mzdata)
## S4 method for signature 'XCMSnExp'
createanClique(mzdata)
mzdata |
An object with processed m/z data. See methods for valid class types. |
An 'anClique' S4 object with all elements to perform clique grouping, isotope annotation and adduct annotation.
xcmsSet
: Method for 'xcmsSet' object
XCMSnExp
: Method for 'XCMSnExp' object
anClique
## 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)
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