combine_peaks: Combine peaks

In ethanbass/chromatographR: Chromatographic Data Analysis Toolset

Combine peaks

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",
  verbose = getOption("verbose")
)

Arguments

peak_table	Peak table from get_peaktable.
tol	Tolerance for matching retention times (maximum retention time difference). Defaults to .01.
min.cor	Minimum spectral correlation to confirm a match. Defaults to 0.9.
choose	If max will retain peak with highest intensity. Otherwise, the first column in the data.frame will be retained.
verbose	Logical. Whether to print status to the console.

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

Other utility functions: get_lambdas(), get_times(), merge_peaks(), reshape_chroms(), reshape_peaktable()

Examples

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

ethanbass/chromatographR documentation built on April 17, 2025, 10:55 a.m.