Robinson I K, Vartanyants I A, Williams G J, Pfeifer M A, Pitney J A
Department of Physics, University of Illinois, Urbana, Illinois 61801, USA.
Phys Rev Lett. 2001 Nov 5;87(19):195505. doi: 10.1103/PhysRevLett.87.195505. Epub 2001 Oct 19.
Inverse problems arise frequently in physics: The magnitude of the Fourier transform of some function is measurable, but not its phase. The "phase problem" in crystallography arises because the number of discrete measurements (Bragg peak intensities) is only half the number of unknowns (electron density points in space). Sayre first proposed that oversampling of diffraction data should allow a solution, and this has recently been demonstrated. Here we report the successful phasing of an oversampled hard x-ray diffraction pattern measured from a single nanocrystal of gold.
某些函数的傅里叶变换的幅度是可测量的,但其相位却不可测。晶体学中的“相位问题”之所以出现,是因为离散测量的数量(布拉格峰强度)仅是未知数数量(空间中的电子密度点)的一半。塞尔最早提出对衍射数据进行过采样应能得到解决方案,最近这一点已得到证实。在此,我们报告了从单个金纳米晶体测量得到的过采样硬X射线衍射图案的成功相位测定。