Ultimate sensitivity in X-ray diffraction: angular moments versus shot noise

The sensitivity towards Bragg peak parameters constitutes a crucial performance attribute of X-ray diffraction experiments. Diffraction peaks are frequently characterized by model-free angular moment analysis, which offers greater versatility compared with traditional model-based peak fitting. Here, we have theoretically determined the ultimate limit of the sensitivities of angular moments imposed by photon shot noise. These predictions have been validated by experimental data provided by three different setups. We have observed experimentally achieved sensitivities of the first moment below 1/1000th of a detector pixel and below 1 µrad. The formulae provided for the uncertainties of angular moments can now be used to rapidly determine experimentally achieved sensitivities from a single diffraction frame. Corresponding limitations (<i>i.e.</i> ultra-low photon counts and exceedingly high photon count rates) are identified and discussed.

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Publication Details

Journal
Journal of Applied Crystallography
Published
2025-08-28
DOI
https://doi.org/10.1107/s1600576725006715
Primary Topic
X-ray Diffraction in Crystallography
Type
article
Field-Weighted Citation Impact
0.00

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article

Ultimate sensitivity in X-ray diffraction: angular moments versus shot noise

J. Ball, Alexander Liehr, Jan Garrevoet, Peter Modregger et al.
Journal of Applied Crystallography
X-ray Diffraction in Crystallography
article

Ultimate sensitivity in X-ray diffraction: angular moments versus shot noise

J. Ball, Alexander Liehr, Jan Garrevoet, Peter Modregger, Michael Stückelberger, Felix Wittwer, Gerald Falkenberg, Niklas Pyrlik, Ahmar Khaliq
article en

Abstract

The sensitivity towards Bragg peak parameters constitutes a crucial performance attribute of X-ray diffraction experiments. Diffraction peaks are frequently characterized by model-free angular moment analysis, which offers greater versatility compared with traditional model-based peak fitting. Here, we have theoretically determined the ultimate limit of the sensitivities of angular moments imposed by photon shot noise. These predictions have been validated by experimental data provided by three different setups. We have observed experimentally achieved sensitivities of the first moment below 1/1000th of a detector pixel and below 1 µrad. The formulae provided for the uncertainties of angular moments can now be used to rapidly determine experimentally achieved sensitivities from a single diffraction frame. Corresponding limitations (<i>i.e.</i> ultra-low photon counts and exceedingly high photon count rates) are identified and discussed.

Journal of Applied CrystallographyVol. 58(5)
University of Kassel (DE), Universität Hamburg (DE), University of Siegen (DE), Deutsches Elektronen-Synchrotron DESY (DE), European Synchrotron Radiation Facility (FR)
European Synchrotron Radiation Facility, Bundesministerium für Bildung und Forschung, Universität Kassel, Deutsches Elektronen-Synchrotron
Openalex Percentile: Top 83%
X-ray Diffraction in Crystallography
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