International
Tables for Crystallography Volume H Powder diffraction Edited by C. J. Gilmore, J. A. Kaduk and H. Schenk © International Union of Crystallography 2018 |
International Tables for Crystallography (2018). Vol. H, ch. 3.4, p. 276
Section 3.4.4.1.3. DICVOL91 (Boultif & Louër, 1991)^{a}Institute of Crystallography – CNR, Via Amendola 122/o, Bari, I-70126, Italy |
This program works in direct space (down to the monoclinic system) by using the successive-dichotomy search method (see Section 3.4.3.1.5), which was introduced for the automatic indexing of powder diffraction patterns by Louër & Louër (1972). DICVOL91 has been defined as exhaustive by Shirley (1980, 2003). Its main steps are:
The program is fast at performing exhaustive searches in parameter space (except for the triclinic case); on the other hand, its efficiency is strongly related to the quality of the data and to the presence of impurities (in fact, impurities are not permitted).
References
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Shirley, R. (1980). Data accuracy for powder indexing. In Accuracy in Powder Diffraction, edited by S. Block & C. R. Hubbard, NBS Spec. Publ. 567, 361–382.Google Scholar
Shirley, R. (2003). Overview of powder-indexing program algorithms (history and strengths and weaknesses). IUCr Comput. Comm. Newsl. 2, 48–54. http://www.iucr.org/resources/commissions/crystallographic-computing/newsletters/2 .Google Scholar
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