combine_peaks: Combine peaks in peak table

In chromatographR: Chromatographic Data Analysis Toolset

Combine peaks in peak table

Description

Utility function to combine duplicate peaks in peak table, i.e. peaks that were integrated at more than one wavelength or component. Specify tolerance (tol) for retention time matching and minimum spectral correlation (min.cor) for a match.

Usage

combine_peaks(peak_table, tol = 0.01, min.cor = 0.9, choose = "max")

Arguments

peak_table	Peak table from get_peaktable.
tol	Tolerance for matching retention times (maximum retention time difference).
min.cor	Minimum spectral correlation to confirm a match.
choose	If "max" will retain peak with highest intensity. Otherwise, the first column in the data.frame will be retained.

Value

A peak table similar to the input peak table, but with duplicate columns combined according to the specified criteria.

Author(s)

Ethan Bass

See Also

get_peaks

Examples

data(pk_tab)
data(Sa_warp)
pk_tab <- attach_ref_spectra(pk_tab)
combine_peaks(pk_tab, tol = .02, min.cor = .9)

chromatographR documentation built on Aug. 24, 2022, 9:06 a.m.