Premium
Application of optimization to powder‐pattern indexing
Author(s) -
Paszkowicz W.
Publication year - 1987
Publication title -
journal of applied crystallography
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.429
H-Index - 162
ISSN - 1600-5767
DOI - 10.1107/s0021889887086898
Subject(s) - search engine indexing , orthorhombic crystal system , range (aeronautics) , computer science , function (biology) , algorithm , powder diffraction , symmetry (geometry) , mathematical optimization , diffraction , mathematics , materials science , crystallography , information retrieval , physics , chemistry , optics , geometry , evolutionary biology , biology , composite material
The optimization method of indexing powder diffraction patterns based on minimizing the suitable criterion function within a required range of unit‐cell parameters is presented. The features of the method are discussed. A computer program is described which performs the optimization in two steps: systematic search and Powell method. The results are refined by the least‐squares method. The actual version indexes patterns of orthorhombic or higher symmetry.