createSpectra: Create a Spectra object
In GaelleLefort/ASICS: Automatic Statistical Identification in Complex Spectra

Description Usage Arguments Value See Also Examples

Create a new spectra object used for quantification.

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

`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.

A Spectra object with spectra to quantify.

Spectra

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