About the hybrid Fourier syntheses: a probabilistic approach (Articolo in rivista)

Type
Label
  • About the hybrid Fourier syntheses: a probabilistic approach (Articolo in rivista) (literal)
Anno
  • 2011-01-01T00:00:00+01:00 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#doi
  • 10.1107/S0108767311017843 (literal)
Alternative label
  • Burla M.C. 1, Carrozzini B. 2, Cascarano G.L. 2, Giacovazzo C. 2-3, Polidori G. 1 (2011)
    About the hybrid Fourier syntheses: a probabilistic approach
    in Acta crystallographica. Section A, Crystal physics, diffraction, theoretical and general crystallography (Online); IUCr, International union of crystallography, Chester (Regno Unito)
    (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#autori
  • Burla M.C. 1, Carrozzini B. 2, Cascarano G.L. 2, Giacovazzo C. 2-3, Polidori G. 1 (literal)
Pagina inizio
  • 447 (literal)
Pagina fine
  • 455 (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#numeroVolume
  • 67 (literal)
Rivista
Note
  • ISI Web of Science (WOS) (literal)
Http://www.cnr.it/ontology/cnr/pubblicazioni.owl#affiliazioni
  • 1 Department of Earth Sciences, University of Perugia, 06100 Perugia, Italy, 2 Institute of Crystallography, CNR, Via G. Amendola 122/O, 70126 Bari, Italy, 3 Dipartimento Geomineralogico, Universita di Bari, 70125 Bari, Italy. (literal)
Titolo
  • About the hybrid Fourier syntheses: a probabilistic approach (literal)
Abstract
  • The difference electron density has recently been revisited via the method of joint probability distribution functions [Burla et al. (2010). Acta Cryst. A66, 347- 361]. New Fourier coefficients were devised which were the basis of a new ab initio method for the solution of the phase problem (i.e. VLD, vive la difference). In this paper we study the joint probability distribution functions P(F, Fp, Fq), where Fq is the structure factor corresponding to the ideal hybrid Fourier synthesis rhoq = trho -wrhop and t and w are any pair of real numbers. New Fourier coefficients for the calculations of any hybrid synthesis are obtained, and the properties of the corresponding electron-density maps are discussed. The first applications show the correctness of our theoretical approach and suggest possible applications in phasing procedures. (literal)
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