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

11 Sep 2024arXiv:2409.07413links table onlyarchive 2025-07-28

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

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Coherent Diffraction Imaging (CDI) is an experimental technique to gain images of isolated structures by recording the light scattered off the sample. In principle, the sample density can be recovered from the scattered light field through a straightforward Fourier Transform operation. However, only the amplitude of the field is recorded, while the phase is lost during the measurement process and has to be retrieved by means of suitable, well-established phase retrieval algorithms. In this work, 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 experimental data acquired in two experimental campaigns at SwissFEL and European XFEL. Imaging results on isolated nanostructures reveal unprecedented stability and resilience of the algorithm's behavior on the input parameters, as well as the capability of identifying the solution in conditions hardly treatable so far with conventional methods. A user-friendly implementation of SPRING is released as open-source software, aiming at being a reference tool for the coherent diffraction imaging community at XFEL and synchrotron facilities.

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