Description Arguments Details Methods Author(s) See Also
Cluster peaks from an xsAnnotate object into pseudospectra
object |
|
ajc |
Weighted symbolic edge list as four column matrix ("x","y","cor","ps"). Columns x,y are peak indices, cor the edge value and ps the pseudospectrum index, where both peaks occur. |
psg_list |
additional vector ps pseudospectra indices, which are used in the clustering. If set to NULL all pseudospectra will be processed. |
In some cases, is the peak grouping after retentiontime with groupFWHM
not enough to
separate co-elution compounds. Therefore groupCorr
use additional correlation analysis to achieve a separation.
calcPC
is part of this approach, which takes the calculated weighted edge list and performs the graph clustering.
It returns an xsAnnotate object with further separated pseudospectra.
calcPC.hcs(object, ajc=NULL, psg_list=NULL)
Carsten Kuhl, ckuhl@ipb-halle.de
calcPC
groupCorr
highlyConnSG
xsAnnotate-class
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