Package 'xcms' - Bioconductor
Package 'xcms' - Bioconductor
Package 'xcms' - Bioconductor
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30 group.mzClust<br />
group.mzClust<br />
Group Peaks via High Resolution Alignment<br />
Description<br />
Runs high resolution alignment on single spectra samples stored in a given xcmsSet.<br />
Arguments<br />
object<br />
mzppm<br />
mzabs<br />
minsamp<br />
minfrac<br />
a xcmsSet with peaks<br />
the relative error used for clustering/grouping in ppm (parts per million)<br />
the absolute error used for clustering/grouping<br />
set the minimum number of samples in one bin<br />
set the minimum fraction of each class in one bin<br />
Value<br />
Returns a xcmsSet with slots groups and groupindex set.<br />
Methods<br />
object = "xcmsSet"<br />
group(object, method="mzClust", mzppm = 20, mzabs = 0, minsamp = 1, minfrac=0)<br />
References<br />
Saira A. Kazmi, Samiran Ghosh, Dong-Guk Shin, Dennis W. Hill and David F. Grant<br />
Alignment of high resolution mass spectra: development of a heuristic approach for metabolomics.<br />
Metabolomics, Vol. 2, No. 2, 75-83 (2006)<br />
See Also<br />
xcmsSet-class,<br />
Examples<br />
## Not run:<br />
library(msdata)<br />
mzdatapath
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