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XCMS Online / XCMS online Feature Detection Failed
I am running a pairwise job through XCMS online with single sample on each dataset. I am getting "Feature detection failed" error when using the centwave method. The dataset are high resolution centroided data centroided using our in-house centroiding software. The centwave parameters that I used are
ppm 10
minimum peak width 10
maximum peak width 60
mzdiff 0.01
s/n threshold 6
integration method (1 or 2)
prefilter peaks 3
prefilter intensity 100
noise filter 0
However when I run XCMS in R with same parameters for feature detection, it gives me 69 features with no error.
xs <- xcmsSet(files,method="centWave",snthresh=6,ppm=10,peakwidth=c(10,60),mzdiff=0.01,integrate=1,prefilter=c(3,100),noise=0)
R version 3.1.1
XCMS version 1.40
Why does XCMS online fail when R XCMS ran successfully?
Thanks
Nandhini