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An Effective and Reliable Approach to the Phase Problem in Single-Shot Single-Particle Coherent Diffraction Imaging

Alessandro Colombo,Mario Sauppe,Andre Al Haddad,Kartik Ayyer, Morsal Babayan, Ritika Dagar, Thomas Fennel, Linos Hecht, Gregor Knopp, Katharina Kolatzki, Bruno Langbehn,Filipe Maia,Abhishek Mall, Parichita Mazumder, Caner Polat, Julian C. Schäfer-Zimmermann,Kirsten Schnorr, Marie Louise Schubert, Arezu Sehati,Jonas A. Sellberg,Zhou Shen,Zhibin Sun, Pamela Svensson, Paul Tümmler, Carl Frederic Ussling, Onni Veteläinen, Simon Wächter, Noelle Walsh, Alex V. Weitnauer, Tong You, Maha Zuod,Christoph Bostedt, Minna Patanen,Daniela Rupp

arxiv(2024)

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Abstract
Coherent Diffraction Imaging (CDI) is an experimental technique to get images of isolated structures by recording the light scattered off the sample. Thanks to the extremely bright and short coherent light pulses provided by X-ray Free Electron Lasers, CDI makes it possible to study nanostructures in the gas phase and get time-resolved snapshots of their ultrafast dynamics with unprecedented resolution. 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. We present the Memetic Phase Retrieval (MPR) method, an improved approach to the phase retrieval problem, which makes use of a combination of existing phase retrieval algorithms and evolutionary algorithms to mitigate the shortcomings of conventional approaches. We benchmark the method on experimental data acquired in two experimental campaigns at SwissFEL and European XFEL. Imaging results on isolated nanostructures reveal considerable stability of the algorithm's behavior on the input parameters, as well as the capability of identifying the solution in challenging conditions. A user-friendly implementation of the MPR method is released as open-source software, aiming at being a reference tool for the FEL imaging community.
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