Journal Article

PUBDB-2024-01544

http://join2-wiki.gsi.de/foswiki/pub/Main/Artwork/join2_logo100x88.png FDIP—A Fast Diffraction Image Processing Library for X-ray Crystallography Experiments

Gevorkov, Y.Extern*XFEL.EU* ; Galchenkova, M.CFEL*DESY* ; Mariani, V.XFEL.EU*DESY* ; Barty, A.XFEL.EU*DESY* ; White, T. A.CFEL*XFEL.EU*DESY* ; Chapman, H. N.CFEL*XFEL.EU*DESY* ; Yefanov, O. (Corresponding author)CFEL*DESY*

2024
MDPI Basel

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Please use a persistent id in citations: doi:10.3390/cryst14020164  doi:10.3204/PUBDB-2024-01544

Abstract: 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.

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Contributing Institute(s):

1. CFEL-Coherent X-Ray Imaging (FS-CFEL-1)

Research Program(s):

1. 633 - Life Sciences – Building Blocks of Life: Structure and Function (POF4-633) (POF4-633)
2. 6G3 - PETRA III (DESY) (POF4-6G3) (POF4-6G3)

Experiment(s):

1. PETRA Beamline P11 (PETRA III)
2. Experiments at XFEL
3. Relativistic Electron Gun for Atomic Exploration

Appears in the scientific report 2024

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Database coverage:
; ; ; ; Article Processing Charges ; Clarivate Analytics Master Journal List ; Current Contents - Physical, Chemical and Earth Sciences ; DOAJ Seal ; Essential Science Indicators ; Fees ; IF < 5 ; JCR ; SCOPUS ; Science Citation Index Expanded ; Web of Science Core Collection

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