Cluster peaks from an xsAnnotate object into pseudospectra
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.
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.lpc(object, ajc=NULL, psg_list=NULL)
Carsten Kuhl, firstname.lastname@example.org