Department of Physics, Portland State University, Portland 97201-0751, USA.
Acta Crystallogr A Found Adv. 2022 May 1;78(Pt 3):172-199. doi: 10.1107/S2053273322000845. Epub 2022 Apr 28.
Statistically sound crystallographic symmetry classifications are obtained with information-theory-based methods in the presence of approximately Gaussian distributed noise. A set of three synthetic patterns with strong Fedorov-type pseudosymmetries and varying amounts of noise serve as examples. Contrary to traditional crystallographic symmetry classifications with an image processing program such as CRISP, the classification process does not need to be supervised by a human being and is free of any subjectively set thresholds in the geometric model selection process. This enables crystallographic symmetry classification of digital images that are more or less periodic in two dimensions (2D), also known as crystal patterns, as recorded with sufficient structural resolution from a wide range of crystalline samples with different types of scanning probe and transmission electron microscopes. Correct symmetry classifications enable the optimal crystallographic processing of such images. That processing consists of the averaging over all asymmetric units in all unit cells in the selected image area and significantly enhances both the signal-to-noise ratio and the structural resolution of a microscopic study of a crystal. For sufficiently complex crystal patterns, the information-theoretic symmetry classification methods are more accurate than both visual classifications by human experts and the recommendations of one of the popular crystallographic image processing programs of electron crystallography.
在存在近似高斯分布噪声的情况下,使用基于信息理论的方法可以获得具有统计学意义的晶体对称分类。本文以三组具有强 Fedorov 型赝对称且具有不同噪声水平的合成模式为例。与使用图像处理程序(如 CRISP)的传统晶体对称分类不同,分类过程不需要人为监督,并且在几何模型选择过程中没有任何主观设定的阈值。这使得可以对二维(2D)或多或少周期性的数字图像进行晶体对称分类,这些图像也称为晶体图案,它们是使用各种类型的扫描探针和透射电子显微镜从具有不同类型的晶体样品中以足够的结构分辨率记录的。正确的对称分类可以实现对这些图像的最佳晶体学处理。这种处理包括对所选图像区域中所有晶胞的所有非对称单元进行平均,从而显著提高了晶体微观研究的信噪比和结构分辨率。对于足够复杂的晶体图案,信息论对称分类方法比人类专家的视觉分类以及流行的电子晶体学图像处理程序之一的建议更为准确。