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Zeitschrift für Kristallographie - Crystalline Materials

Ed. by Antipov, Evgeny / Bismayer, Ulrich / Huppertz, Hubert / Petrícek, Václav / Pöttgen, Rainer / Schmahl, Wolfgang / Tiekink, E. R. T. / Zou, Xiaodong

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More power for direct methods: SIR2002

M. C. Burla / B. Carrozzini / G. L. Cascarano / C. Giacovazzo / G. Polidori

Citation Information: Zeitschrift für Kristallographie/International journal for structural, physical, and chemical aspects of crystalline materials. Volume 217, Issue 12/2002, Pages 629–635, ISSN (Print) 0044-2968, DOI: 10.1524/zkri.217.12.629.20658, September 2009

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The program SIR2002, the heir of SIR2000-N, shows two important new features: a) a figure of merit which is able to recognize the trials potentially able to provide the correct solution; b) a procedure capable of exploiting electron density distributions misplaced with respect to the correct origin. The two features dramatically increase the power of direct methods for macromolecular crystallography.

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