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

Abstract

Two new figures of merit for powder indexing solutions are proposed: the reversed figure of meritMnRevand the symmetric figure of meritMnSym. These are naturally suggested by the theory underlying the de Wolff figure of meritMn. Nevertheless,MnRevhas characteristics opposite to those ofMnwith regard to sensitivity to impurity peaks and extinct reflections.MnSymhas intermediate properties betweenMnandMnRev. 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 softwareConograph(http://sourceforge.jp/projects/conograph/; http://research.kek.jp/people/rtomi/ConographGUI/web_page.html).