Title :
A new approach for indexing powder diffraction data based on dichotomy method
Author_Institution :
Czech Tech. Univ. in Prague Prague, Prague, Czech Republic
Abstract :
Powder diffraction is a basic method in applied crystallography. One of the key parts of the experimental data processing is the process of indexation - determination of lattice parameters. The lattice parameters are essential information required for phase identification as well as for eventual phase structure solution. The most common methods for the indexation are dichotomy and TREOR algorithms. In this paper we represent some improvements to dichotomy and TREOR algorithms. Proposed algorithms improvements increase the robustness and speed of indexing powder diffraction data.
Keywords :
X-ray diffraction; database indexing; lattice constants; physics computing; powder technology; TREOR algorithm; crystallography; dichotomy algorithm; dichotomy method; experimental data processing; indexation; lattice parameter determination; phase identification; phase structure solution; powder diffraction data indexing; Complexity theory; Crystals; Diffraction; Indexing; Lattices; Powders; Vectors; TREOR algorithm; applied crystallography; dichotomy algorithm; indexing powder diffraction;
Conference_Titel :
Computational Science and Engineering (CSE), 2012 IEEE 15th International Conference on
Conference_Location :
Nicosia
Print_ISBN :
978-1-4673-5165-2
Electronic_ISBN :
978-0-7695-4914-9
DOI :
10.1109/ICCSE.2012.27