Overview of ParaCell package for indexing in powder diffraction

0570781 - FZÚ 2024 RIV GB eng J - Článek v odborném periodiku
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
Institucionální podpora: RVO:68378271
Klíčová slova: indexing powder diffraction * successive dichotomy algorithm * TREOR algorithm * ITO algorithm * GPGPU * CUDA * OpenMP
Obor OECD: Condensed matter physics (including formerly solid state physics, supercond.)
Impakt faktor: 6.1, rok: 2022
Způsob publikování: Omezený přístup
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.
Trvalý link: https://hdl.handle.net/11104/0342122