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On the application of phase relationships to complex structures. XVIII.RANTAN–randomMULTAN

作者:Jia-xing Yao · 发表于:Acta Crystallographica Section A · 年份:1981 · DOI:10.1107/s0567739481001460 · 被引用次数:81 · 研究领域:X-ray Diffraction in Crystallography、Rock Mechanics and Modeling、Geophysical Methods and Applications

To overcome the disadvantages of a small starting set in MULTAN a technique is described whereby a large number of phases are given random values with low weights and then refined by a weighted tangent formula. The effectiveness of the process depends quite critically on assigning suitable weights to phase estimates and on a fairly tight control of the refinement. Examples of the application of the method are given for a number of structures, many of which are difficult to solve by direct methods.