createSpectra {ASICS}R Documentation

Create a Spectra object

Description

Create a new spectra object used for quantification.

Usage

createSpectra(spectra)

Arguments

spectra

Data frame with spectra in columns and chemical shifts in rows. Colnames of this data frame correspond to pure metabolite names and rownames to chemical shift grid (in ppm).

Value

A Spectra object with spectra to quantify.

See Also

Spectra

Examples

current_path <- system.file("extdata", "example_spectra", package = "ASICS")
spectra_data <- importSpectraBruker(current_path)
spectra_obj <- createSpectra(spectra_data)

[Package ASICS version 1.0.1 Index]