regroupR {speaq}

Regroup faulty grouped peaks

Description

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.

Usage

regroupR(
  grouped.peaks,
  list.to.regroup,
  min.samp.grp = 1,
  max.dupli.prop = 0.1,
  maxClust = 10
)

Arguments

grouped.peaks

The grouped peaks data.

list.to.regroup

The peak indices of groups to regroup (the groups, indicated by their peakIndex, in 1 list item will be merged and regrouped).

min.samp.grp

The minimal amount of samples needed to form a group.

max.dupli.prop

The maximal duplication proportion allowed for a group to be considered a single group.

maxClust

The maximum number of clusters (depth of the tree).

Value

Returns a data frame with regrouped peaks.

Author(s)

Charlie Beirnaert, [e-mail]