Weighting function in crystal-structure analysis

Srinivasan, R. (1968) Weighting function in crystal-structure analysis Zeitschrift für Kristallographie , 126 (1-3). pp. 175-181. ISSN 0044-2968

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Official URL: http://www.oldenbourg-link.com/doi/abs/10.1524/zkr...

Related URL: http://dx.doi.org/10.1524/zkri.1968.126.1-3.175


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.

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