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November 16, 2009Journal of Applied Crystallography287 citations

EXPO2009: structure solution by powder data in direct and reciprocal space

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AAAngela AltomareMCMercedes CamalliCCCorrado Cuocci

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Abstract

The program EXPO2009 is the evolution of EXPO2004 Altomare, Caliandro, Camalli, Cuocci, Giacovazzo, Moliterni & Rizzi (2004). J. Appl. Cryst . 37 , 1025–1028. EXPO2009 performs all the steps of ab initio structure solution by powder data: indexing, space-group determination, estimation of the reflection integrated intensities, structure solution by direct/Patterson methods and/or by a direct-space/hybrid approach, and model refinement by the Rietveld technique. New procedures have been introduced in EXPO2009 for enhancing the structure solution process, particularly in the case of low-resolution data and/or organic compounds, when traditional approaches like direct methods may fail. The EXPO2009 graphical interface has been optimized and made very user friendly.

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Altomare et al. (2009) studied this question.

synapsesocial.com/papers/69d6e48b41375cf86eed8d12https://doi.org/10.1107/s0021889809042915
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