If there are peaks wrongly grouped by the peakGrouper function, they will be regrouped by using the ppm values together with the peak signal to noise ratio.
regroupR(
grouped.peaks,
list.to.regroup,
min.samp.grp = 1,
max.dupli.prop = 0.1,
maxClust = 10
)The grouped peaks data.
The peak indices of groups to regroup (the groups, indicated by their peakIndex, in 1 list item will be merged and regrouped).
The minimal amount of samples needed to form a group.
The maximal duplication proportion allowed for a group to be considered a single group.
The maximum number of clusters (depth of the tree).
Returns a data frame with regrouped peaks.