title: Multiparametric curve fitting-VI Mrfit and mrlet, computer programs for estimation of the stability constant of the predominant M(p)L(q) complex and the ligand purity by analysis of photometric titration curves.
abstract: MRFIT and MRLET, two FORTRAN computer programs, can analyse a photometric mole-ratio curve (photometric titration curve) to estimate the stability constant beta(pq) of the predominant complex M(p)L(q), the ligand concentration factor f(L), the extrapolated absorbance A(ext) and the stoichiometric coefficient q (p is usually 1). MRFIT uses algorithmic minimization of a residual-square sum to reach, usually, the global minimum or the lowest of several local ones. MRLET, an ABLET system program based on LETAG, allows algorithmic and/or heuristic minimization. A local minimum described by parametric co-ordinates with a definite physical meaning might be found by the heuristic process.
authors.affiliation: Department of Analytical Chemistry, College of Chemical Technology, 532 10 Pardubice, Czechoslovakia.
authors.forename: M
authors.initials: M
authors.lastname: Meloun
authors.forename: M
authors.initials: M
authors.lastname: Javůrek