normaliseSpectra: Normalisation

In ASICS: Automatic Statistical Identification in Complex Spectra

Description

Normalise a data frame of spectra to a constant sum (CS) or with a method of PepsNMR package (see Normalization).

Usage

normaliseSpectra(spectra, type.norm = "CS", verbose = TRUE, ...)

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).
type.norm	Type of normalisation : "CS", "mean", "pqn", "median", "firstquartile" or "peak". Default to "CS".
verbose	A boolean value to allow print out process information.
...	other arguments to be passed to Normalization

Value

A data frame with normalised spectra in columns and chemical shifts (in ppm) in rows.

Examples

current_path <- system.file("extdata", package = "ASICS")
spectra_data <- importSpectra(name.dir = current_path,
                     name.file = "spectra_example.txt", type.import = "txt")
spectra_norm <- normaliseSpectra(spectra_data, type.norm = "pqn")

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