Abstract
Theoretical expressions for the normalized form of the discrepancy index R2 of Wilson have been obtained for crystals containing heavy atoms of similar scattering power, with the heavy-atom part of the structure taken as the trial model. The results obtained are applicable for crystals belonging to 72 space groups of the triclinic, monoclinic and orthorhombic systems. Expressions for two limiting situations, namely complete relatedness and complete unrelatedness, have been tabulated for the commonly occurring cases corresponding to the number of heavy atoms in the asymmetric unit being one or two. Theoretical curves for this index as a function of the fractional heavy-atom contribution are also given for the various cases.
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Schedule a callMore From: Acta Crystallographica Section A: Crystal Physics, Diffraction, Theoretical and General Crystallography
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