EXPO2013: a kit of tools for phasing crystal structures from powder data. (3rd July 2013)

• Record Type: Journal Article
• Authors: Altomare, Angela; Cuocci, Corrado; Giacovazzo, Carmelo; Moliterni, Anna; Rizzi, Rosanna; Corriero, Nicola; Falcicchio, Aurelia
• Is Part Of: Journal of applied crystallography. Volume 46:Part 4(2013:Aug.)
• Page Start: 1231
• Page End: 1235
• Publication Date: 2013-07-03
• Subjects: Crystallography -- Periodicals; 548.05
• DOI: 10.1107/S0021889813013113
• Languages: English
• ISSNs: 0021-8898

Abstract

<abstract abstract-type="main" xml:lang="en"> <title> <x xml:space="preserve">Abstract</x> </title> <p> <italic>EXPO2013</italic>, the heir of <italic>EXPO2009</italic>, has been enriched by a variety of new algorithms and graphical tools aiming at strengthening the individual steps of the powder structure solution pathway. Particular attention has been addressed to the procedures devoted to improving structural models provided by direct methods in <italic>ab initio</italic> approaches. In addition, a new procedure has been implemented, working in direct space, which may be chosen by the user as an alternative to the traditional simulated annealing algorithm.</p> </abstract>