Attach reference spectra to a peak_table object.

Reference spectra are selected either as the spectrum with maximum intensity ("max.int") or as the spectrum with the highest average correlation to all other spectra in the peak table ("max.cor").

Usage

attach_ref_spectra(peak_table, chrom_list, ref = c("max.cor", "max.int"))

Arguments

peak_table

A peak_table object created by get_peaktable.

chrom_list

Optional list of chromatograms (timepoints × wavelengths). If NULL, the function attempts to retrieve the original chrom_list used to generate peak_table.

ref

Method for selecting reference spectra. Options are "max.int" (maximum intensity) or "max.cor" (maximum average correlation).

Value

A peak_table object with reference spectra stored in the $ref_spectra slot.

See also

get_peaks, get_peaktable

Author

Ethan Bass

Examples

data(pk_tab)
data(Sa_warp)
pk_tab <- attach_ref_spectra(pk_tab, ref = "max.int")
pk_tab <- attach_ref_spectra(pk_tab, ref = "max.cor")