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Attach reference spectra

Source: R/attach_metadata.R
attach_ref_spectra.Rd

Gathers reference spectra and attaches them to a peak_table object. Reference spectra are defined either as the spectrum with the highest intensity ("max.int") or as the spectrum with the highest average correlation to the 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

Peak table from get_peaktable.

chrom_list

A list of chromatograms in matrix format (timepoints x wavelengths). If no argument is provided here, the function will try to find the chrom_list object used to create the provided peak_table.

ref

What criterion to use to select reference spectra. Current options are maximum correlation ("max.cor") or maximum signal intensity ("max.int").

Value

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

See also

get_peaks get_peaktable

Author

Ethan Bass

Examples

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