A new parallel version of a dichotomy based algorithm for indexing powder diffraction data

Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F68407700%3A21240%2F20%3A00341803" target="_blank" >RIV/68407700:21240/20:00341803 - isvavai.cz</a>
Result on the web
<a href="https://doi.org/10.1515/zkri-2020-0030" target="_blank" >https://doi.org/10.1515/zkri-2020-0030</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1515/zkri-2020-0030" target="_blank" >10.1515/zkri-2020-0030</a>

Result language
angličtina
Original language name
A new parallel version of a dichotomy based algorithm for indexing powder diffraction data
Original language description
One of the key parts of the crystal structure solution process from powder diffraction data is the determination of the lattice parameters from experimental data shortly called indexing. The successive dichotomy method is the one of the most common ones for this process because it allows an exhaustive search. In this paper, we discuss several improvements for this indexing method that significantly reduce the search space and decrease the solution time. We also propose a combination of this method with other indexing methods: grid search and TREOR. The effectiveness and time-consumption of such algorithm were tested on several datasets, including orthorhombic, monoclinic, and triclinic examples. Finally, we discuss the impacts of the proposed improvements.
Czech name
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Czech description
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Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
—
OECD FORD branch
10302 - Condensed matter physics (including formerly solid state physics, supercond.)

Publication year
2020
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

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