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

Reversed de Wolff figure of merit and its application to powder indexing solutions
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逆德沃尔夫品质因数及其在粉末分度解决方案中的应用

DOI:
10.1107/s0021889813018773
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发表时间:
2013
期刊:
J. Appl. Cryst
影响因子:
--
通讯作者:
R. O-Tomiyasu
R. O-Tomiyasu
中科院分区:
--
文献类型:
--
作者:
T.Hara;K.Sato;M.Ohya;鍋島克輔;Hiroshi Haramoto;R. O-Tomiyasu

文献摘要

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提出了粉末分度解决方案的两种新品质因数:反转品质因数 MnRev 和对称品质因数 MnSym。这些都是德沃尔夫品质因数 Mn 背后的理论自然暗示的。然而,在对杂质峰和消光反射的敏感性方面,MnRev 具有与 Mn 相反的特性。 MnSym 具有介于 Mn 和 MnRev 之间的中间属性。介绍了新品质因数在粉末索引解决方案和零点偏移估计中的应用。所有品质因数均可从粉末自动索引软件 Conograph 获得(https://sourceforge.jp/projects/conograph/;https://research.kek.jp/people/rtomi/ConographGUI/web_page.html)。
Two new figures of merit for powder indexing solutions are proposed: the reversed figure of merit MnRev and the symmetric figure of merit MnSym. These are naturally suggested by the theory underlying the de Wolff figure of merit Mn. Nevertheless, MnRev has characteristics opposite to those of Mn with regard to sensitivity to impurity peaks and extinct reflections. MnSym has intermediate properties between Mn and MnRev. 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 (https://sourceforge.jp/projects/conograph/; https://research.kek.jp/people/rtomi/ConographGUI/web_page.html).