Crystal structure determination by dual-space iterative algorithms

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68378271%3A_____%2F23%3A00604626" target="_blank" >RIV/68378271:_____/23:00604626 - isvavai.cz</a>

Výsledek na webu

<a href="http://dx.doi.org/10.1107/S1574870723000083" target="_blank" >http://dx.doi.org/10.1107/S1574870723000083</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1107/S1574870723000083" target="_blank" >10.1107/S1574870723000083</a>

Jazyk výsledku

angličtina

Název v původním jazyce

Crystal structure determination by dual-space iterative algorithms

Popis výsledku v původním jazyce

Dual-space iterative algorithms are algorithms that use alternating modifications of the trial scattering density distribution in direct and reciprocal space to find a solution to the phase problem. The heart of the dual-space algorithms is the iteration scheme: the recipe for combining the modifications in both spaces. An equally important aspect is also the precise definition of these modifications. Numerous iteration schemes exist and these can be combined with an equally rich selection of modifications, leading to a wide range of algorithms. The most well known and the most studied, although by far not the only one, is the chargeflipping algorithm. Dual-space iterative algorithms have found applications in many crystallographic problems.

Název v anglickém jazyce

Crystal structure determination by dual-space iterative algorithms

Popis výsledku anglicky

Dual-space iterative algorithms are algorithms that use alternating modifications of the trial scattering density distribution in direct and reciprocal space to find a solution to the phase problem. The heart of the dual-space algorithms is the iteration scheme: the recipe for combining the modifications in both spaces. An equally important aspect is also the precise definition of these modifications. Numerous iteration schemes exist and these can be combined with an equally rich selection of modifications, leading to a wide range of algorithms. The most well known and the most studied, although by far not the only one, is the chargeflipping algorithm. Dual-space iterative algorithms have found applications in many crystallographic problems.

Druh

C - Kapitola v odborné knize

CEP obor

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OECD FORD obor

10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Projekt

<a href="/cs/project/GX21-05926X" target="_blank" >GX21-05926X: Nanokrystalografie molekulárních krystalů</a><br>

Návaznosti

P - Projekt vyzkumu a vyvoje financovany z verejnych zdroju (s odkazem do CEP)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2023

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název knihy nebo sborníku

International Tables for Crystallography

ISBN

978-0-470-68575-4

Počet stran výsledku

15

Strana od-do

1-15

Počet stran knihy

620

Název nakladatele

International Union of Crystallography

Místo vydání

Chester

Kód UT WoS kapitoly

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