getPureVariables: Identifies pure variables

In svkucheryavski/mdatools: Multivariate Data Analysis for Chemometrics

Identifies pure variables

Description

The method identifies indices of pure variables using the SIMPLISMA algorithm.

Usage

getPureVariables(D, ncomp, purevars, offset)

Arguments

D	matrix with the spectra
ncomp	number of pure components
purevars	user provided values gor pure variables (no calculation will be run in this case)
offset	offset (between 0 and 1) for calculation of parameter alpha

Value

The function returns a list with with following fields:

ncomp	number of pure components.
purvars	vector with indices for pure variables.
purityspec	matrix with purity values for each resolved components.
purity	vector with purity values for resolved components.

svkucheryavski/mdatools documentation built on Aug. 25, 2023, 12:27 p.m.