Unimod
Unimodality constraint of Multivariate Curve Resolution (MCR)
This function can be considered as a subroutine of alslight. During Multivariate Curve Resolution, it is indeed possible to apply constraints. One of them is unimodality, meaning that the concentration decreases monotonously at either side of the maximum of concentration. This constraint can also be applied to spectral profiles. For batch process data, most of the time it is used for concentration profiles and has an effect of smoothing the curves.
function (conc)=unimod(conc,rmod,cmod)
Inputs:
conc : concentration values before unimodality.
rmod : unimodality constraint.
cmod : vertical, horizontal or average unimodality.
Output:
conc: concentration values after unimodality.
Authors:
Roma Tauler & Anna de Juan
Chemometrics and Solution Equilibria group / University of Barcelona
Department of Analytical Chemistry
Diagonal 647, Barcelona 08028
Date: 1999
e-mail roma@quimio.qui.ub.es
Contact: Sébastien Gourvénec: sebastien.gourvenec@vub.ac.be
References
A. de Juan, Y. Vander Heyden, R. Tauler, D.L. Massart - Assessment of new constraints applied to the ALS method - Analytica Chimica Acta 1997, 346, 307 - 18
Adress of the file
Cubatch's main directory