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SPRING,一种用于单粒子相干衍射成像中图像重建的有效且可靠的框架。

SPRING, an effective and reliable framework for image reconstruction in single-particle Coherent Diffraction Imaging.

作者信息

Colombo Alessandro, Sauppe Mario, Al Haddad Andre, Ayyer Kartik, Babayan Morsal, Boll Rebecca, Dagar Ritika, Dold Simon, Fennel Thomas, Hecht Linos, Knopp Gregor, Kolatzki Katharina, Langbehn Bruno, Maia Filipe R N C, Mall Abhishek, Mazumder Parichita, Mazza Tommaso, Ovcharenko Yevheniy, Polat Ihsan Caner, Raiser Dirk, Schäfer-Zimmermann Julian C, Schnorr Kirsten, Schubert Marie Louise, Sehati Arezu, Sellberg Jonas A, Senfftleben Björn, Shen Zhou, Sun Zhibin, Svensson Pamela H W, Tümmler Paul, Usenko Sergey, Ussling Carl Frederic, Veteläinen Onni, Wächter Simon, Walsh Noelle, Weitnauer Alex V, You Tong, Zuod Maha, Meyer Michael, Bostedt Christoph, Galli Davide E, Patanen Minna, Rupp Daniela

机构信息

Laboratory for Solid State Physics, ETH Zurich, Zürich, Switzerland.

Paul Scherrer Institut, Villigen, Switzerland.

出版信息

NPJ Comput Mater. 2025;11(1):265. doi: 10.1038/s41524-025-01661-y. Epub 2025 Aug 19.

Abstract

Coherent Diffraction Imaging (CDI) is an experimental technique to image isolated structures by recording the scattered light. The sample density can be recovered from the scattered field through a Fourier Transform operation. However, the phase of the field is lost during the measurement and has to be algorithmically retrieved. Here we present SPRING, an analysis framework tailored to X-ray Free Electron Laser (XFEL) single-shot single-particle diffraction data that implements the Memetic Phase Retrieval method to mitigate the shortcomings of conventional algorithms. We benchmark the approach on data acquired in two experimental campaigns at SwissFEL and European XFEL. Results reveal unprecedented stability and resilience of the algorithm's behavior on the input parameters, and the capability of identifying the solution in conditions hardly treatable with conventional methods. A user-friendly implementation of SPRING is released as open-source software, aiming at being a reference tool for the CDI community at XFEL and synchrotron facilities.

摘要

相干衍射成像(CDI)是一种通过记录散射光来对孤立结构进行成像的实验技术。样品密度可以通过傅里叶变换操作从散射场中恢复。然而,场的相位在测量过程中丢失了,必须通过算法来检索。在此,我们展示了SPRING,这是一个专门针对X射线自由电子激光(XFEL)单次单粒子衍射数据的分析框架,它采用了拟态相位恢复方法来减轻传统算法的缺点。我们在瑞士自由电子激光(SwissFEL)和欧洲自由电子激光(European XFEL)的两次实验中获取的数据上对该方法进行了基准测试。结果揭示了该算法在输入参数方面前所未有的稳定性和适应性,以及在传统方法难以处理的条件下识别解决方案的能力。SPRING的一个用户友好型实现版本作为开源软件发布,旨在成为XFEL和同步加速器设施中CDI社区的参考工具。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/90c0/12364707/c2a1117bf650/41524_2025_1661_Fig2_HTML.jpg

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