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About the hybrid Fourier syntheses: a probabilistic approach

Academic Article
Publication Date:
2011
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.
Iris type:
01.01 Articolo in rivista
Keywords:
difference electron density; VLD method; hybrid Fourier syntheses
List of contributors:
Giacovazzo, Carmelo; Burla, MARIA CRISTINA; Polidori, Giampiero; Carrozzini, Benedetta; Cascarano, GIOVANNI LUCA
Authors of the University:
CARROZZINI BENEDETTA
Handle:
https://iris.cnr.it/handle/20.500.14243/234459
Published in:
ACTA CRYSTALLOGRAPHICA. SECTION A, FOUNDATIONS OF CRYSTALLOGRAPHY
Journal
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