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。

IF 2.9 2区材料科学 Q2 CHEMISTRY, MULTIDISCIPLINARY

IUCrJ Pub Date : 2024-07-01 DOI:10.1107/S2052252524004858

Zhichao Jiao , Yao He , Xingke Fu , Xin Zhang , Zhi Geng , Wei Ding , T. Ishikawa (Editor)

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引用次数: 0

摘要

超强、超快的 X 射线自由电子激光器（XFEL）可在环境温度和压力下对单个蛋白质分子进行成像。结构重建的一个重要方面是确定每个衍射图样的相对方向并恢复缺失的相位信息。在本文中，我们介绍了一种预测模型辅助的定向确定和相位检索算法，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、准确性和效率方面取得了显著改善。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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

A predicted model-aided reconstruction algorithm is proposed for orientation determination and phase retrieval in X-ray free-electron laser single-particle imaging. The predicted model-aided algorithm exhibits significant improvements in the success rate, accuracy and efficiency of the reconstruction process.

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.

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来源期刊

IUCrJ CHEMISTRY, MULTIDISCIPLINARYCRYSTALLOGRAPH-CRYSTALLOGRAPHY

CiteScore

7.50

自引率

5.10%

发文量

审稿时长

10 weeks

期刊介绍： IUCrJ is a new fully open-access peer-reviewed journal from the International Union of Crystallography (IUCr). The journal will publish high-profile articles on all aspects of the sciences and technologies supported by the IUCr via its commissions, including emerging fields where structural results underpin the science reported in the article. Our aim is to make IUCrJ the natural home for high-quality structural science results. Chemists, biologists, physicists and material scientists will be actively encouraged to report their structural studies in IUCrJ.