Closure
Closure 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 closure, meaning that the total concentration of all species is kept constant during the evolution in time. In the case of batch process data this constraint is useful to have the total concentration constant in the batch. It normalises the total concentration at each time to a fixed value (unity) by dividing each element of a row of C by the sum of the elements of the row Only one closure constant is available.
function (conc)=closure(conc,iclos,sclos1,iclos1,tclos1,vclos1)
Inputs:
conc : concentration values before closure
iclos : =1 for one closure constant
sclos1: species that are concerned with closure constraint.
iclos1: condition of the closure constant ("lower or equal than" condition)
tclos1: closure constant.
vclos1: vector of variable closure constants for conc profiles.
Output:
conc: concentration values after closure
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