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  4. FDIP : a Fast Diffraction Image Processing library for X-ray crystallography experiments
 
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FDIP : a Fast Diffraction Image Processing library for X-ray crystallography experiments

Citation Link: https://doi.org/10.15480/882.9245
Publikationstyp
Journal Article
Date Issued
2024-02-05
Sprache
English
Author(s)
Gevorkov, Yaroslav  
Bildverarbeitungssysteme E-2 (H)  
Galchenkova, Marina  
Mariani, Valerio  
Barty, Anton  
White, Thomas A.  
Chapman, Henry N.  
Yefanov, Oleksandr  
TORE-DOI
10.15480/882.9245
TORE-URI
https://hdl.handle.net/11420/45963
Journal
Crystals  
Volume
14
Issue
2
Article Number
164
Citation
Crystals 14 (2): 164 (2024)
Publisher DOI
10.3390/cryst14020164
Scopus ID
2-s2.0-85185977451
Publisher
Multidisciplinary Digital Publishing Institute
Peer Reviewed
true
Serial crystallography (SX) is a cutting-edge technique in structural biology, involving the systematic collection of X-ray diffraction data from numerous randomly oriented microcrystals. To extract comprehensive three-dimensional information about the studied system, SX utilises thousands of measured diffraction patterns. As such, SX takes advantages of the properties of modern X-ray sources, including Free Electron Lasers (FELs) and third and fourth generation synchrotrons, as well as contemporary high-repetition-rate detectors. Efficient analysis of the extensive datasets generated during SX experiments demands fast and effective algorithms. The FDIP library offers meticulously optimised functions tailored for preprocessing data obtained in SX experiments. This encompasses tasks such as background subtraction, identification and masking of parasitic streaks, elimination of unwanted powder diffraction (e.g., from ice or salt crystals), and pinpointing useful Bragg peaks in each diffraction pattern. The library is equipped with a user-friendly graphical interface for facile parameter adjustment tailored to specific datasets. Compatible with popular SX processing software like OnDA, Cheetah, CrystFEL, and Merge3D, the FDIP library enhances the capabilities of these tools for streamlined and precise serial crystallography analyses.
Subjects
masking artefacts
peak finding algorithm
real-time feedback
serial crystallography
DDC Class
621: Applied Physics
Funding Organisations
Helmholtz Association of German Research Centres  
Publication version
publishedVersion
Lizenz
https://creativecommons.org/licenses/by/4.0/
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