Reversed de Wolff figure of merit and its application to powder indexing solutions

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Abstract

Two new figures of merit for powder indexing solutions are proposed: the reversed figure of merit M n Rev and the symmetric figure of merit M n Sym. These are naturally suggested by the theory underlying the de Wolff figure of merit M n. Nevertheless, M n Rev has characteristics opposite to those of M n with regard to sensitivity to impurity peaks and extinct reflections. M n Sym has intermediate properties between M n and M n Rev. Applications of the new figures of merit to powder indexing solutions and zero-point shift estimation are introduced. All of the figures of merit are available from the powder auto-indexing software Conograph (http://sourceforge.jp/projects/conograph/; http://research.kek.jp/people/rtomi/ ConographGUI/web-page.html).

Original languageEnglish
Pages (from-to)1277-1282
Number of pages6
JournalJournal of Applied Crystallography
Volume46
Issue number5
DOIs
Publication statusPublished - Oct 1 2013
Externally publishedYes

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All Science Journal Classification (ASJC) codes

  • Biochemistry, Genetics and Molecular Biology(all)

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