Australian Center for Microscopy and Microanalysis, University of Sydney, Sydney, New South Wales 2006, Australia.
Microsc Res Tech. 2012 Feb;75(2):153-63. doi: 10.1002/jemt.21038. Epub 2011 Jul 14.
A software package for computing radial distribution functions and other pair correlation functions from electron diffraction patterns of disordered solids is presented. The package, called RDFTools, is freely available via the internet and allows rapid in situ measurements of such quantities as interatomic nearest neighbor distances, average bond angles and coordination numbers. The software runs under DigitalMicrograph™ (Pleasanton, California, Gatan), a very widely used program in transmission electron microscopy. All implemented algorithms have been designed to compute diffraction integrals and data-processing averages in a fast and efficient manner to enable quick processing of publication ready, quantitative pair distribution function information. In the development of RDFTools, significant attention was paid to provide a robust and intuitive user-interface for deriving reliable semiquantitative information. For example, RDFTools enables accurate pair separation distances to be revealed upon immediate interrogation at the microscope; even for potentially thick specimens and/or regions of unknown elemental composition.
介绍了一个用于计算无序固体电子衍射图的径向分布函数和其他对关联函数的软件包。该软件包名为 RDFTools，可通过互联网免费获得，并允许快速原位测量原子间最近邻距离、平均键角和配位数等参数。该软件在 DigitalMicrographTM（加利福尼亚州普莱森顿，Gatan）下运行，这是透射电子显微镜中非常广泛使用的程序。所有实现的算法都经过设计，可以快速有效地计算衍射积分和数据处理平均值，以便快速处理可发布的、定量的对分布函数信息。在 RDFTools 的开发过程中，我们非常注重提供一个强大而直观的用户界面，以获取可靠的半定量信息。例如，RDFTools 能够在显微镜下立即进行精确的对分离距离查询；即使对于潜在的厚样品和/或未知元素组成的区域也是如此。
