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

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Title: Ultimate sensitivity in X‐ray diffraction: angular moments versus shot noise.
Authors: Modregger, Peter1,2 (AUTHOR) peter.modregger@uni-siegen.de, Wittwer, Felix1,2 (AUTHOR), Khaliq, Ahmar1,2 (AUTHOR), Pyrlik, Niklas2,3 (AUTHOR), Ball, James A. D.4 (AUTHOR), Garrevoet, Jan5 (AUTHOR), Falkenberg, Gerald5 (AUTHOR), Liehr, Alexander6 (AUTHOR), Stuckelberger, Michael2 (AUTHOR)
Source: Journal of Applied Crystallography. Oct2025, Vol. 58 Issue 5, p1653-1658. 6p.
Subjects: Photon detectors, Photon counting, Moments method (Statistics), Detectors, Noise
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.e. ultra‐low photon counts and exceedingly high photon count rates) are identified and discussed. [ABSTRACT FROM AUTHOR]
Copyright of Journal of Applied Crystallography is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract. (Copyright applies to all Abstracts.)
Database: Engineering Source
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Header DbId: egs
DbLabel: Engineering Source
An: 188493214
AccessLevel: 6
PubType: Academic Journal
PubTypeId: academicJournal
PreciseRelevancyScore: 0
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  Data: Ultimate sensitivity in X‐ray diffraction: angular moments versus shot noise.
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  Data: <searchLink fieldCode="AR" term="%22Modregger%2C+Peter%22">Modregger, Peter</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<i> peter.modregger@uni-siegen.de</i><br /><searchLink fieldCode="AR" term="%22Wittwer%2C+Felix%22">Wittwer, Felix</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Khaliq%2C+Ahmar%22">Khaliq, Ahmar</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Pyrlik%2C+Niklas%22">Pyrlik, Niklas</searchLink><relatesTo>2,3</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Ball%2C+James+A%2E+D%2E%22">Ball, James A. D.</searchLink><relatesTo>4</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Garrevoet%2C+Jan%22">Garrevoet, Jan</searchLink><relatesTo>5</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Falkenberg%2C+Gerald%22">Falkenberg, Gerald</searchLink><relatesTo>5</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Liehr%2C+Alexander%22">Liehr, Alexander</searchLink><relatesTo>6</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Stuckelberger%2C+Michael%22">Stuckelberger, Michael</searchLink><relatesTo>2</relatesTo> (AUTHOR)
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Applied+Crystallography%22">Journal of Applied Crystallography</searchLink>. Oct2025, Vol. 58 Issue 5, p1653-1658. 6p.
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  Data: <searchLink fieldCode="DE" term="%22Photon+detectors%22">Photon detectors</searchLink><br /><searchLink fieldCode="DE" term="%22Photon+counting%22">Photon counting</searchLink><br /><searchLink fieldCode="DE" term="%22Moments+method+%28Statistics%29%22">Moments method (Statistics)</searchLink><br /><searchLink fieldCode="DE" term="%22Detectors%22">Detectors</searchLink><br /><searchLink fieldCode="DE" term="%22Noise%22">Noise</searchLink>
– Name: Abstract
  Label: Abstract
  Group: Ab
  Data: 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.e. ultra‐low photon counts and exceedingly high photon count rates) are identified and discussed. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Journal of Applied Crystallography is the property of Wiley-Blackwell and its content may not be copied or emailed to multiple sites without the copyright holder's express written permission. Additionally, content may not be used with any artificial intelligence tools or machine learning technologies. However, users may print, download, or email articles for individual use. This abstract may be abridged. No warranty is given about the accuracy of the copy. Users should refer to the original published version of the material for the full abstract.</i> (Copyright applies to all Abstracts.)
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RecordInfo BibRecord:
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        Value: 10.1107/S1600576725006715
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      – Code: eng
        Text: English
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        PageCount: 6
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    Subjects:
      – SubjectFull: Photon detectors
        Type: general
      – SubjectFull: Photon counting
        Type: general
      – SubjectFull: Moments method (Statistics)
        Type: general
      – SubjectFull: Detectors
        Type: general
      – SubjectFull: Noise
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      – TitleFull: Ultimate sensitivity in X‐ray diffraction: angular moments versus shot noise.
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            – D: 01
              M: 10
              Text: Oct2025
              Type: published
              Y: 2025
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