EXPO2013, the heir of EXPO2009, 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 ab initio 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. © 2013 International Union of Crystallography Printed in Singapore - all rights reserved.
EXPO2013: A kit of tools for phasing crystal structures from powder data
Altomare A;Cuocci C;Giacovazzo C;Moliterni A;Rizzi R;Corriero N;Falcicchio A
2013
Abstract
EXPO2013, the heir of EXPO2009, 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 ab initio 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. © 2013 International Union of Crystallography Printed in Singapore - all rights reserved.File in questo prodotto:
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