getPureVariables: Identifies pure variables

In 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 for 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 the following fields:

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

mdatools documentation built on March 6, 2026, 5:08 p.m.