http://www.cnr.it/ontology/cnr/individuo/prodotto/ID19898
Crystal structure solution via precession electron diffraction data: The BEA algorithm (Articolo in rivista)
- Type
- Label
- Crystal structure solution via precession electron diffraction data: The BEA algorithm (Articolo in rivista) (literal)
- Anno
- 2010-01-01T00:00:00+01:00 (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
- 10.1016/j.ultramic.2010.09.013 (literal)
- Alternative label
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
- G.L. Cascarano, C. Giacovazzo, B. Carrozzini (literal)
- Pagina inizio
- Pagina fine
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
- Rivista
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#pagineTotali
- Note
- ISI Web of Science (WOS) (literal)
- Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
- - CNR-IC, Sede di Bari
- Dip. Geomineralogico, Univ. di Bari (literal)
- Titolo
- Crystal structure solution via precession electron diffraction data: The BEA algorithm (literal)
- Abstract
- The statistical features of the amplitudes obtained via precession electron diffraction have been studied,
with particular concern with their effects on direct phasing procedures. A new algorithm, denoted by BEA,
is described: according to it, the average amplitude of the symmetry equivalent reflections is used in the
Direct Methods step. Once an even imperfect structural model is available, the best amplitude among the
equivalent reflections is used to improve the model. It is shown that BEA is able to provide more complete
structural models, to make the phasing process more straightforward and to end with crystallographic
residual much better than those usually obtained by electron diffraction. (literal)
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