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The method of joint probability distribution functions applied to MAD techniques. The two-wavelength case for
1IRMEC c/o Dipartimento Geomineralogico, Università di Bari, Campus Universitario, Via Orabona 4, 70125 Bari, Italy. c.giacovazzo@area.ba.cnr.it
Acta Crystallographica. Section A, Foundations of Crystallography
|October 27, 2001
Abstract:
MAD (multiple-wavelength anomalous dispersion) techniques are often considered as a special MIR (multiple isomorphous replacement) case. The rigorous method of the joint probability distribution functions is applied to solve the phase problem for acentric crystals, on the assumption that the anomalous scatterer's substructure is a priori known. The two-wavelength case is considered: errors in measurements and in the model substructure are handled. The probabilistic approach provides a very simple and efficient formula for estimating structure-factor phases.