Giewekemeyer K, Aquila A, Loh N-T D, Chushkin Y, Shanks K S, Weiss J T, Tate M W, Philipp H T, Stern S, Vagovic P, Mehrjoo M, Teo C, Barthelmess M, Zontone F, Chang C, Tiberio R C, Sakdinawat A, Williams G J, Gruner S M, Mancuso A P
European XFEL GmbH, Holzkoppel 4, 22869 Schenefeld, Germany.
Centre for Bio-imaging Sciences, National University of Singapore, 14 Science Drive 4, 117557 Singapore.
IUCrJ. 2019 Mar 20;6(Pt 3):357-365. doi: 10.1107/S2052252519002781. eCollection 2019 May 1.
The routine atomic resolution structure determination of single particles is expected to have profound implications for probing structure-function relationships in systems ranging from energy-storage materials to biological molecules. Extremely bright ultrashort-pulse X-ray sources - X-ray free-electron lasers (XFELs) - provide X-rays that can be used to probe ensembles of nearly identical nanoscale particles. When combined with coherent diffractive imaging, these objects can be imaged; however, as the resolution of the images approaches the atomic scale, the measured data are increasingly difficult to obtain and, during an X-ray pulse, the number of photons incident on the 2D detector is much smaller than the number of pixels. This latter concern, the signal 'sparsity', materially impedes the application of the method. An experimental analog using a conventional X-ray source is demonstrated and yields signal levels comparable with those expected from single biomolecules illuminated by focused XFEL pulses. The analog experiment provides an invaluable cross check on the fidelity of the reconstructed data that is not available during XFEL experiments. Using these experimental data, it is established that a sparsity of order 1.3 × 10 photons per pixel per frame can be overcome, lending vital insight to the solution of the atomic resolution XFEL single-particle imaging problem by experimentally demonstrating 3D coherent diffractive imaging from photon-sparse random projections.
单颗粒的常规原子分辨率结构测定有望对探究从储能材料到生物分子等系统中的结构-功能关系产生深远影响。极其明亮的超短脉冲X射线源——X射线自由电子激光器(XFEL)——提供可用于探测几乎相同的纳米级颗粒集合的X射线。当与相干衍射成像相结合时,这些物体可以成像;然而,随着图像分辨率接近原子尺度,测量数据越来越难以获得,并且在X射线脉冲期间,入射到二维探测器上的光子数量远小于像素数量。后一个问题,即信号“稀疏性”,严重阻碍了该方法的应用。展示了一种使用传统X射线源的实验模拟,其产生的信号水平与聚焦XFEL脉冲照射的单个生物分子预期的信号水平相当。该模拟实验为重建数据的保真度提供了在XFEL实验期间无法获得的宝贵交叉检验。利用这些实验数据,确定每像素每帧1.3×10个光子的稀疏性是可以克服的,通过实验证明从光子稀疏随机投影进行三维相干衍射成像,为解决原子分辨率XFEL单颗粒成像问题提供了至关重要的见解。