Description Arguments Value Methods See Also Examples
Group peaks together across samples by creating a master peak list and assigning corresponding peaks from all samples. It is inspired by the alignment algorithm of mzMine. For further details check http://mzmine.sourceforge.net/ and
Katajamaa M, Miettinen J, Oresic M: MZmine: Toolbox for processing and visualization of mass spectrometry based molecular profile data. Bioinformatics (Oxford, England) 2006, 22:634?636.
Currently, there is no equivalent to minfrac
or minsamp
.
object |
the |
mzVsRTbalance |
Multiplicator for mz value before calculating the (euclidean) distance between two peaks. |
mzCheck |
Maximum tolerated distance for mz. |
rtCheck |
Maximum tolerated distance for RT. |
kNN |
Number of nearest Neighbours to check |
An xcmsSet
object with peak group assignments and statistics.
group(object, mzVsRTbalance=10, mzCheck=0.2, rtCheck=15, kNN=10)
xcmsSet-class
,
group.density
and
group.mzClust
1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 | ## Not run: library(xcms)
library(faahKO)
## These files do not have this problem to correct for
## but just for an example
cdfpath <- system.file("cdf", package = "faahKO")
cdffiles <- list.files(cdfpath, recursive = TRUE, full.names = TRUE)
xset<-xcmsSet(cdffiles)
gxset<-group(xset, method="nearest")
nrow(gxset@groups) == 1096 ## the number of features before minFrac
post.minFrac<-function(object, minFrac=0.5){
ix.minFrac<-sapply(1:length(unique(sampclass(object))),
function(x, object, mf){
meta<-groups(object)
minFrac.idx<-numeric(length=nrow(meta))
idx<-which(
meta[,levels(sampclass(object))[x]] >=
mf*length(which(levels(sampclass(object))[x]
== sampclass(object)) ))
minFrac.idx[idx]<-1
return(minFrac.idx)
}, object, minFrac)
ix.minFrac<-as.logical(apply(ix.minFrac, 1, sum))
ix<-which(ix.minFrac == TRUE)
return(ix)
}
## using the above function we can get a post processing minFrac
idx<-post.minFrac(gxset)
gxset.post<-gxset ## copy the xcmsSet object
gxset.post@groupidx<-gxset@groupidx[idx]
gxset.post@groups<-gxset@groups[idx,]
nrow(gxset.post@groups) == 465 ## number of features after minFrac
## End(Not run)
|
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