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单粒子衍射成像实验的重建算法

Reconstruction algorithm for single-particle diffraction imaging experiments.

作者信息

Loh Ne-Te Duane, Elser Veit

机构信息

Laboratory of Atomic and Solid State Physics, Cornell University, Ithaca, New York 14853-2501, USA.

出版信息

Phys Rev E Stat Nonlin Soft Matter Phys. 2009 Aug;80(2 Pt 2):026705. doi: 10.1103/PhysRevE.80.026705. Epub 2009 Aug 24.

Abstract

We introduce the EMC algorithm for reconstructing a particle's three-dimensional (3D) diffraction intensity from very many photon shot-noise limited two-dimensional measurements, when the particle orientation in each measurement is unknown. The algorithm combines a maximization step (M) of the intensity's likelihood function, with expansion (E) and compression (C) steps that map the 3D intensity model to a redundant tomographic representation and back again. After a few iterations of the EMC update rule, the reconstructed intensity is given to the difference-map algorithm for reconstruction of the particle contrast. We demonstrate reconstructions with simulated data and investigate the effects of particle complexity, number of measurements, and the number of photons per measurement. The relatively transparent scaling behavior of our algorithm provides an estimate of the data processing resources required for future single-particle imaging experiments.

摘要

我们介绍了一种EMC算法,用于在每次测量中粒子取向未知的情况下,从大量受光子散粒噪声限制的二维测量中重建粒子的三维(3D)衍射强度。该算法将强度似然函数的最大化步骤(M)与扩展(E)和压缩(C)步骤相结合,这些步骤将3D强度模型映射到冗余断层图像表示,然后再映射回来。经过EMC更新规则的几次迭代后,将重建的强度输入到差分图算法中,以重建粒子对比度。我们用模拟数据展示了重建结果,并研究了粒子复杂性、测量次数和每次测量的光子数的影响。我们算法相对清晰的缩放行为为未来单粒子成像实验所需的数据处理资源提供了估计。

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