Skip to main content

Lund University Publications

LUND UNIVERSITY LIBRARIES

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

Colombo, Alessandro ; Sauppe, Mario ; Al Haddad, Andre ; Ayyer, Kartik ; Babayan, Morsal ; Boll, Rebecca ; Dagar, Ritika ; Dold, Simon ; Fennel, Thomas and Hecht, Linos , et al. (2025) In npj Computational Materials 11(1).
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... (More)

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.

(Less)
Please use this url to cite or link to this publication:
author
; ; ; ; ; ; ; ; and , et al. (More)
; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; ; and (Less)
organization
publishing date
type
Contribution to journal
publication status
published
subject
in
npj Computational Materials
volume
11
issue
1
article number
265
publisher
Nature Publishing Group
external identifiers
  • pmid:40843384
  • scopus:105013642950
ISSN
2057-3960
DOI
10.1038/s41524-025-01661-y
language
English
LU publication?
yes
id
9b48ec2d-418d-4793-aaf2-74a95e4e8186
date added to LUP
2025-10-03 12:45:58
date last changed
2025-10-09 12:33:00
@article{9b48ec2d-418d-4793-aaf2-74a95e4e8186,
  abstract     = {{<p>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.</p>}},
  author       = {{Colombo, Alessandro and Sauppe, Mario and Al Haddad, Andre and Ayyer, Kartik and Babayan, Morsal and Boll, Rebecca and Dagar, Ritika and Dold, Simon and Fennel, Thomas and Hecht, Linos and Knopp, Gregor and Kolatzki, Katharina and Langbehn, Bruno and Maia, Filipe R.N.C. and Mall, Abhishek and Mazumder, Parichita and Mazza, Tommaso and Ovcharenko, Yevheniy and Polat, Ihsan Caner and Raiser, Dirk and Schäfer-Zimmermann, Julian C. and Schnorr, Kirsten and Schubert, Marie Louise and Sehati, Arezu and Sellberg, Jonas A. and Senfftleben, Björn and Shen, Zhou and Sun, Zhibin and Svensson, Pamela H.W. and Tümmler, Paul and Usenko, Sergey and Ussling, Carl Frederic and Veteläinen, Onni and Wächter, Simon and Walsh, Noelle and Weitnauer, Alex V. and You, Tong and Zuod, Maha and Meyer, Michael and Bostedt, Christoph and Galli, Davide E. and Patanen, Minna and Rupp, Daniela}},
  issn         = {{2057-3960}},
  language     = {{eng}},
  number       = {{1}},
  publisher    = {{Nature Publishing Group}},
  series       = {{npj Computational Materials}},
  title        = {{SPRING, an effective and reliable framework for image reconstruction in single-particle Coherent Diffraction Imaging}},
  url          = {{http://dx.doi.org/10.1038/s41524-025-01661-y}},
  doi          = {{10.1038/s41524-025-01661-y}},
  volume       = {{11}},
  year         = {{2025}},
}