createSpectra {ASICS} | R Documentation |
Create a new spectra object used for quantification.
createSpectra(spectra)
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). |
A Spectra object with spectra to quantify.
current_path <- system.file("extdata", "example_spectra", package = "ASICS") spectra_data <- importSpectraBruker(current_path) spectra_obj <- createSpectra(spectra_data)