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An automated and robust method for modelling X‐ray beamlines with plane grating monochromators.

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Title: An automated and robust method for modelling X‐ray beamlines with plane grating monochromators.
Authors: Wang, Patrick Yuheng1,2 (AUTHOR) patrick.wang@chem.ox.ac.uk, Bazan da Silva, Murilo1 (AUTHOR) murilo.bazan-da-silva@diamond.ac.uk, Held, Georg1 (AUTHOR), Wang, Hongchang1 (AUTHOR), Sawhney, Kawal1 (AUTHOR), Walters, Andrew C.1 (AUTHOR) andrew.walters@diamond.ac.uk
Source: Journal of Synchrotron Radiation. Jul2025, Vol. 32 Issue 4, p899-907. 9p.
Subjects: Optical instruments, Ray tracing, Light sources, Software development tools, Workflow, Monochromators
Abstract: The plane grating monochromator (PGM) is an optical instrument used in the majority of soft X‐ray beamlines. Despite its ubiquity, the PGM efficiency can easily be overestimated, because the geometry of many modern PGMs can lead to unexpected blocking of the beam. We have developed a new workflow in Python for simulating PGMs, thus extending the capabilities of SHADOW3, a well established ray tracing software tool. We have used our method to simulate the flux on branch C of the Versatile Soft X‐ray (VerSoX) beamline B07 at Diamond Light Source. The simulation results demonstrate qualitative agreement with the experimental measurements, confirming the robustness of the proposed methodology. [ABSTRACT FROM AUTHOR]
Copyright of Journal of Synchrotron Radiation 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.)
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  Data: An automated and robust method for modelling X‐ray beamlines with plane grating monochromators.
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  Data: <searchLink fieldCode="AR" term="%22Wang%2C+Patrick+Yuheng%22">Wang, Patrick Yuheng</searchLink><relatesTo>1,2</relatesTo> (AUTHOR)<i> patrick.wang@chem.ox.ac.uk</i><br /><searchLink fieldCode="AR" term="%22Bazan+da+Silva%2C+Murilo%22">Bazan da Silva, Murilo</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> murilo.bazan-da-silva@diamond.ac.uk</i><br /><searchLink fieldCode="AR" term="%22Held%2C+Georg%22">Held, Georg</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Wang%2C+Hongchang%22">Wang, Hongchang</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Sawhney%2C+Kawal%22">Sawhney, Kawal</searchLink><relatesTo>1</relatesTo> (AUTHOR)<br /><searchLink fieldCode="AR" term="%22Walters%2C+Andrew+C%2E%22">Walters, Andrew C.</searchLink><relatesTo>1</relatesTo> (AUTHOR)<i> andrew.walters@diamond.ac.uk</i>
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  Data: <searchLink fieldCode="JN" term="%22Journal+of+Synchrotron+Radiation%22">Journal of Synchrotron Radiation</searchLink>. Jul2025, Vol. 32 Issue 4, p899-907. 9p.
– Name: Subject
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  Data: <searchLink fieldCode="DE" term="%22Optical+instruments%22">Optical instruments</searchLink><br /><searchLink fieldCode="DE" term="%22Ray+tracing%22">Ray tracing</searchLink><br /><searchLink fieldCode="DE" term="%22Light+sources%22">Light sources</searchLink><br /><searchLink fieldCode="DE" term="%22Software+development+tools%22">Software development tools</searchLink><br /><searchLink fieldCode="DE" term="%22Workflow%22">Workflow</searchLink><br /><searchLink fieldCode="DE" term="%22Monochromators%22">Monochromators</searchLink>
– Name: Abstract
  Label: Abstract
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  Data: The plane grating monochromator (PGM) is an optical instrument used in the majority of soft X‐ray beamlines. Despite its ubiquity, the PGM efficiency can easily be overestimated, because the geometry of many modern PGMs can lead to unexpected blocking of the beam. We have developed a new workflow in Python for simulating PGMs, thus extending the capabilities of SHADOW3, a well established ray tracing software tool. We have used our method to simulate the flux on branch C of the Versatile Soft X‐ray (VerSoX) beamline B07 at Diamond Light Source. The simulation results demonstrate qualitative agreement with the experimental measurements, confirming the robustness of the proposed methodology. [ABSTRACT FROM AUTHOR]
– Name: AbstractSuppliedCopyright
  Label:
  Group: Ab
  Data: <i>Copyright of Journal of Synchrotron Radiation 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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      – Type: doi
        Value: 10.1107/S1600577525003200
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      – Code: eng
        Text: English
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        PageCount: 9
        StartPage: 899
    Subjects:
      – SubjectFull: Optical instruments
        Type: general
      – SubjectFull: Ray tracing
        Type: general
      – SubjectFull: Light sources
        Type: general
      – SubjectFull: Software development tools
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      – SubjectFull: Workflow
        Type: general
      – SubjectFull: Monochromators
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      – TitleFull: An automated and robust method for modelling X‐ray beamlines with plane grating monochromators.
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            NameFull: Wang, Patrick Yuheng
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            NameFull: Bazan da Silva, Murilo
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            NameFull: Held, Georg
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            NameFull: Wang, Hongchang
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            NameFull: Sawhney, Kawal
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            – D: 01
              M: 07
              Text: Jul2025
              Type: published
              Y: 2025
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