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).
All Science Journal Classification (ASJC) codes
- Biochemistry, Genetics and Molecular Biology(all)