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.
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.
Meloun
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Department of Analytical Chemistry, College of Chemical Technology, 532 10 Pardubice, Czechoslovakia.
Javůrek
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