Metabolomics Society Forum

Software => R => XCMS => Topic started by: jcmartin on February 20, 2015, 11:08:34 AM

Title: fillpeaks problem
Post by: jcmartin on February 20, 2015, 11:08:34 AM
I'm using a q-exactive plus connected to a uplc through an ESI source. After using xcms, the differport matrix contains a lot (too much) of variables with zero intensities, mainly in the samples, less so in the QC's.
Here is the script I  use

xset<-xcmsSet(method="centWave", peakwidth=c(3,20), snthresh=5, mzdiff=0.01, ppm=3, prefilter=c(5,100000), noise=100000)
xset
xset2<-retcor(xset, method="obiwarp", profStep=0.1, plottype="deviation")
xset2
xset2<- group(xset2, bw=5, mzwid=0.008)
xset3<-fillPeaks(xset2)
xset3

 I shall say that we previoulsy used a QTOF (Bruker microTOF Q) with of course a different xcms tuning, but never got such trouble.

Any ideas of what's going wrong with fillpeaks using  he q-exactive data?