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On the determination of unit‐cell dimensions from inaccurate powder diffraction data
Author(s) -
Werner P.E.
Publication year - 1976
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/s0021889876010996
Subject(s) - figure of merit , limit (mathematics) , unit (ring theory) , powder diffraction , diffraction , function (biology) , volume (thermodynamics) , physics , materials science , mathematics , computer science , optics , mathematical analysis , thermodynamics , nuclear magnetic resonance , mathematics education , evolutionary biology , biology
An upper limit for the volume of unit cells which can be verified by the de Wolff figure of merit [Wolff, P. M. de, J. Appl.Cryst . (1968). 1 , 108–113] is given as a function of the errors in observed d spacings. In the use of the de Wolff figure of merit the requirement of information about the errors of measurement is emphasized. A number of examples are given where the unit cells that are found cannot be accepted as true, because of the lack of accuracy in the published data.