对σA参数的新解释。

IF 1.8 4区材料科学

Acta Crystallographica Section A Pub Date : 2013-07-01 Epub Date: 2013-05-15 DOI:10.1107/S010876731300768X

B Carrozzini, G L Cascarano, C Giacovazzo, A Mazzone

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引用次数: 3

摘要

本文对σA参数进行了新的研究，以了解当衍射振幅分布远离标准威尔逊分布时σA参数的行为。该研究提出了用相关因子表示的σA的新统计解释。新的公式允许在电子密度修正过程中更准确地使用σA。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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A new interpretation of the σA parameter.

A new study of the σA parameter has been undertaken to understand its behaviour when the diffraction amplitude distributions are far from the standard Wilson distributions. The study has led to the formulation of a new statistical interpretation of σA, expressed in terms of a correlation factor. The new formulas allow a more accurate use of σA in electron-density modification procedures.

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来源期刊

Acta Crystallographica Section A 化学-晶体学

自引率

11.10%

发文量

审稿时长

3 months

期刊介绍： Acta Crystallographica Section A: Foundations and Advances publishes articles reporting advances in the theory and practice of all areas of crystallography in the broadest sense. As well as traditional crystallography, this includes nanocrystals, metacrystals, amorphous materials, quasicrystals, synchrotron and XFEL studies, coherent scattering, diffraction imaging, time-resolved studies and the structure of strain and defects in materials. The journal has two parts, a rapid-publication Advances section and the traditional Foundations section. Articles for the Advances section are of particularly high value and impact. They receive expedited treatment and may be highlighted by an accompanying scientific commentary article and a press release. Further details are given in the November 2013 Editorial. The central themes of the journal are, on the one hand, experimental and theoretical studies of the properties and arrangements of atoms, ions and molecules in condensed matter, periodic, quasiperiodic or amorphous, ideal or real, and, on the other, the theoretical and experimental aspects of the various methods to determine these properties and arrangements.