createSpectra {ASICS} | R Documentation

## Create a Spectra object

### Description

Create a new spectra object used for quantification.

### Usage

    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

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

[Package ASICS version 2.3.1 Index]