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Attach reference spectra

Source: R/attach_metadata.R
attach_ref_spectra.Rd

Gathers reference spectra and attaches them to 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")