The Main Strategies and Tools in EXPO2009
EXPO2009 , the updated version of EXPO2004 , performs all the steps for the ab-initio crystal structure solution by powder diffraction data in a completely automatic way: unit cell determination, space group identification, decomposition of the experimental pattern into single integrated intensities, structure solution by traditional (Direct/Patterson) or direct space/hybrid approaches, structure refinement by Rietveld techniques . New procedures have been introduced in EXPO2009 to strengthen its phasing ability, especially for organic compounds and for low resolution data, for which traditional approaches may fail.
Danuta Stróż & Małgorzata Karolus
A. Altomare et al., "The Main Strategies and Tools in EXPO2009", Solid State Phenomena, Vol. 163, pp. 1-8, 2010