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Overview of ParaCell package for indexing in powder diffraction
- 1.0570781 - FZÚ 2024 RIV GB eng J - Journal Article
Šimeček, I. - Rohlíček, Jan - Zaloga, A.
Overview of ParaCell package for indexing in powder diffraction.
Journal of Applied Crystallography. Roč. 56, č. 1 (2023), s. 293-301. ISSN 0021-8898. E-ISSN 1600-5767
Institutional support: RVO:68378271
Keywords : indexing powder diffraction * successive dichotomy algorithm * TREOR algorithm * ITO algorithm * GPGPU * CUDA * OpenMP
OECD category: Condensed matter physics (including formerly solid state physics, supercond.)
Impact factor: 6.1, year: 2022
Method of publishing: Limited access
https://doi.org/10.1107/S1600576722011554
This article describes the crystallography package ParaCell, which integrates several indexing methods. All methods share the basic infrastructure of the program, which uses GPUs to evaluate the correctness of the unit cell. The individually implemented indexing methods in the program are presented along with a comparison with other indexing software. The success and time requirements were tested on several data sets, including orthorhombic, monoclinic and triclinic examples.
Permanent Link: https://hdl.handle.net/11104/0342122
Number of the records: 1