| Literature DB >> 32608364 |
Abstract
The origin-free modulus sum function SM refines the set Φ of phases of the structure factors by maximizing the coincidence between the experimental origin-free modulus function and the calculated one in terms of the ρ(Φ)2 density function [Rius, J. (1993). Acta Cryst. A49, 406-409]. Maximization is normally achieved through the recursive application of a Fourier-based algorithm. The purpose of the present study is: (i) to show that ρ(Φ)2 can be replaced by |ρ(Φ)| in SM; (ii) to illustrate the viability of the corresponding phasing algorithm with experimental data.Entities:
Keywords: Patterson function; direct methods; modulus sum function; phasing methods; structure solution
Year: 2020 PMID: 32608364 PMCID: PMC7331883 DOI: 10.1107/S2053273320004945
Source DB: PubMed Journal: Acta Crystallogr A Found Adv ISSN: 2053-2733 Impact factor: 2.290