Weighting function in crystal-structure analysis

Abstract

It is shown that a general method of approach, based on statistical considerations, can be formulated to deal with the problem of devising weighting schemes for different situations in crystal-structure analysis. This approach leads readily to the well known method of applying a weighting function for the improvement of a Fourier synthesis when a part of the structure is known. The method is applied to a new case, namely that of defining the "best Patterson" function to locate the heavy-atom vectors from a pair of isomorphous crystals. The possible application of this method of approach for the treatment of unobserved reflections is pointed out.