Literature DB >> 22514072

Patterson function and δ recycling: derivation of the phasing equations.

Jordi Rius1.   

Abstract

Two phasing equations based on the Fourier syntheses δ(P) = T(-1)[(E(2) - <E(2)>)exp(iφ)] and δ(M) = T(-1)[(E - <E>)exp(iφ)] were recently described [Rius (2012). Acta Cryst. A 68, 77-81] (E is the quasi-normalized structure factor and <E> is the average over all reflections). These equations were found by comparison with the direct methods origin-free modulus sum function and constitute the core of the `δ recycling' phasing procedure. The derivation of these phasing equations from the minimization of a residual (R(P)) between two differently calculated density functions (one of them including the positivity constraint) is shown.
© 2012 International Union of Crystallography

Year:  2012        PMID: 22514072     DOI: 10.1107/S0108767312008768

Source DB:  PubMed          Journal:  Acta Crystallogr A        ISSN: 0108-7673            Impact factor:   2.290


  3 in total

1.  Novel phasing method using the origin-free modulus sum function expressed in terms of the absolute electron density.

Authors:  Jordi Rius
Journal:  Acta Crystallogr A Found Adv       Date:  2020-06-01       Impact factor: 2.290

Review 2.  Application of synchrotron through-the-substrate microdiffraction to crystals in polished thin sections.

Authors:  Jordi Rius; Oriol Vallcorba; Carlos Frontera; Inmaculada Peral; Anna Crespi; Carles Miravitlles
Journal:  IUCrJ       Date:  2015-06-11       Impact factor: 4.769

Review 3.  Application of Patterson-function direct methods to materials characterization.

Authors:  Jordi Rius
Journal:  IUCrJ       Date:  2014-08-29       Impact factor: 4.769

  3 in total

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