Attach reference spectra to a peak_table object

For each peak, selects one sample's spectrum as the reference: either the spectrum with the highest mean correlation to that peak's spectra in the other samples ("max.cor"), or the spectrum from the sample where the peak is most intense ("max.int"). Spectra are scaled before they are stored.

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 omitted, the function attempts to retrieve the original chrom_list used to generate peak_table.

ref

Method for selecting reference spectra: "max.cor" (maximum mean correlation, the default) or "max.int" (maximum intensity).

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")