Spectra-class: Class Spectra

In ASICS: Automatic Statistical Identification in Complex Spectra

Description

Objects of class Spectra contain a set of NMR spectra. It includes preprocessed spectra and can be created with the function createSpectra.

Slots

sample.name

Character vector of sample names.

ppm.grid

Numeric vector of a unique grid (definition domain) for all spectra (in ppm).

spectra

Numeric matrix with all spectra in columns. Columns must be in the same order as for sample.name and rows correspond to points of ppm.grid.

norm.method

Character specifying the normalisation method to use on spectra

norm.params

List containing normalisation parameteres (see normaliseSpectra for details).

Methods

Multiple methods can be applied on Spectra objects.

• As usual for S4 object, show and summary methods are available, see Object summary

• All slots have an accessor get_slot name, see Accessors

• Two objects can be combined or a subset can be extracted, see Combine and subset methods

• All spectra contained in an object can be represented in a plot, see Visualisation methods

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