用于x射线晶体学的相位编码孔径衍射图系统的布尔近似

Samuel Pinilla, Tatiana Gelvez, H. Arguello
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引用次数: 0

摘要

相位恢复问题涉及到从信号的傅里叶变换的幅度中恢复信号的相位。最近,提出了一种基于编码孔径采集系统的相位恢复方法。调制是在信号被衍射之前实现的,使得底层信号从编码的衍射图样中恢复。此外,利用位于所研究样品后的相位编码孔径可以获得衍射前的调制效应。然而,在x射线应用中,相位编码孔径的实际实现是不可行的,因为它会导致具有复杂条目的矩阵,并且需要改变衍射光束的相位。因此,本文描述了一个基于块无块(布尔)编码孔径的编码x射线衍射图系统,与相位编码孔径不同,该系统易于实现。该系统采用绕行相位法,通过分块编码孔径逼近相位编码孔径。本工作使用SAXS/WAXS x射线晶体学软件模拟了真实晶体结构菱形十二面体的衍射模式。通过多次仿真,获得了布尔近似在利用模拟衍射图恢复相位时的性能。在峰值信噪比方面,重建的质量达到22dB。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Boolean approximation of a phase-coded aperture diffraction pattern system for X-ray crystallography
The phase retrieval problem involves recovering the phase of a signal from the amplitude of its Fourier transform. Recently, a phase recovery approach for a coded aperture-based acquisition system was proposed. The modulation is realized before the signal being diffracted, such that the underlying signal is recovered from coded diffraction patterns. Moreover, the modulation effect before diffraction can be obtained by using a phase coded aperture located after the sample under study. However, the practical implementation of a phase coded aperture in an X-ray application is not feasible, since it results in a matrix with complex entries and it requires changing the phase of the diffracted beams. Hence, this paper describes a coded X-ray diffraction pattern system based on block-unblock (Boolean) coded apertures that, unlike the phase coded apertures are easily implementable. The proposed system approximates the phase coded aperture by a block-unblock coded aperture by using the detour-phase method. This work used the SAXS/WAXS X-ray crystallography software to simulate the diffraction patterns of a real crystal structure called Rhombic Dodecahedron. Several simulations were realized to obtain the performance of some Boolean approximations in recovering the phase using the simulated diffraction pattern images. The quality of the reconstructions attain up to 22dB in terms of the Peak-Signal-to-Noise-Ratio.
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