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一种用于X射线自由电子激光单粒子成像的预测模型辅助重建算法。

A predicted model-aided reconstruction algorithm for X-ray free-electron laser single-particle imaging.

作者信息

Jiao Zhichao, He Yao, Fu Xingke, Zhang Xin, Geng Zhi, Ding Wei

机构信息

Laboratory of Soft Matter Physics, Institute of Physics, Chinese Academy of Sciences, Beijing 100190, People's Republic of China.

Research Instrument Scientist, New York University Abu Dhabi, Abu Dhabi, United Arab Emirates.

出版信息

IUCrJ. 2024 Jul 1;11(Pt 4):602-619. doi: 10.1107/S2052252524004858.

DOI:10.1107/S2052252524004858
PMID:38904548
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC11220885/
Abstract

Ultra-intense, ultra-fast X-ray free-electron lasers (XFELs) enable the imaging of single protein molecules under ambient temperature and pressure. A crucial aspect of structure reconstruction involves determining the relative orientations of each diffraction pattern and recovering the missing phase information. In this paper, we introduce a predicted model-aided algorithm for orientation determination and phase retrieval, which has been tested on various simulated datasets and has shown significant improvements in the success rate, accuracy and efficiency of XFEL data reconstruction.

摘要

超强、超快的X射线自由电子激光（XFEL）能够在常温常压下对单个蛋白质分子进行成像。结构重建的一个关键方面是确定每个衍射图案的相对取向并恢复缺失的相位信息。在本文中，我们介绍了一种用于取向确定和相位检索的预测模型辅助算法，该算法已在各种模拟数据集上进行了测试，并在XFEL数据重建的成功率、准确性和效率方面显示出显著提高。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a859/11220885/797191ebd209/m-11-00602-fig8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a859/11220885/3d3ee3f80ffb/m-11-00602-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a859/11220885/f5d2cb8d6979/m-11-00602-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a859/11220885/6f53d4805cb3/m-11-00602-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a859/11220885/7ee1c90a4d89/m-11-00602-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a859/11220885/5b6d05d594d0/m-11-00602-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a859/11220885/af54b6042272/m-11-00602-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a859/11220885/94b694ec7349/m-11-00602-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a859/11220885/797191ebd209/m-11-00602-fig8.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a859/11220885/3d3ee3f80ffb/m-11-00602-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a859/11220885/f5d2cb8d6979/m-11-00602-fig2.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a859/11220885/6f53d4805cb3/m-11-00602-fig3.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a859/11220885/7ee1c90a4d89/m-11-00602-fig4.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a859/11220885/5b6d05d594d0/m-11-00602-fig5.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a859/11220885/af54b6042272/m-11-00602-fig6.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a859/11220885/94b694ec7349/m-11-00602-fig7.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/a859/11220885/797191ebd209/m-11-00602-fig8.jpg

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