createSpectra: Create a Spectra object

Description Usage Arguments Value See Also Examples

View source: R/load_data.R

Description

Create a new spectra object used for quantification.

Usage

1
createSpectra(spectra, norm.method = NULL, norm.params = NULL)

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).

norm.method

Character specifying the normalisation method to use on spectra ONLY if the importSpectra function was not used.

norm.params

List containing normalisation parameteres (see normaliseSpectra for details) ONLY if the importSpectra function was not used.

Value

A Spectra object with spectra to quantify.

See Also

Spectra

Examples

1
2
3
current_path <- system.file("extdata", "example_spectra", package = "ASICS")
spectra_data <- importSpectraBruker(current_path)
spectra_obj <- createSpectra(spectra_data)

ASICS documentation built on Nov. 8, 2020, 8:19 p.m.