论文标题

参考增强X射线单粒子成像

Reference-enhanced X-ray Single Particle Imaging

论文作者

Ayyer, Kartik

论文摘要

X射线单个粒子成像涉及在随机方向中隔离对象的大量嘈杂衍射模式的测量。然后在计算上恢复有关这些模式的丢失信息,以获得粒子的三维结构。尽管该方法已承诺以几乎原子分辨率提供室温结构,但在收集足够质量和数量的数据以实现这一目标的数据方面存在重大的实验障碍。本文介绍了修改常规方法论的两种方法,这些方法可以显着缓解实验挑战,而重建程序中的额外计算复杂性为代价。这两种方法都涉及使用感兴趣样本的全息参考对象的使用,其结构只能用几个参数来描述。还提出了一种重建算法来恢复未知的自由度,并通过玩具模式模拟进行了测试。

X-ray single particle imaging involves the measurement of a large number of noisy diffraction patterns of isolated objects in random orientations. The missing information about these patterns is then computationally recovered in order to obtain a three-dimensional structure of the particle. While the method has promised to deliver room temperature structures at near-atomic resolution, there have been significant experimental hurdles in collecting data of sufficient quality and quantity to achieve this goal. This paper describes two ways to modify the conventional methodology which significantly ease the experimental challenges, at the cost of additional computational complexity in the reconstruction procedure. Both these methods involve the use of holographic reference objects in close proximity to the sample of interest, whose structure can be described with only a few parameters. A reconstruction algorithm to recover the unknown degrees of freedom is also proposed and tested with toy-model simulations.

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