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xrdPlanner: exploring area detector geometries for powder diffraction and total scattering experiments.

Lennard Krause1, Frederik Holm Gjørup1, Mads Ry Vogel Jørgensen1

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Summary

xrdPlanner software helps researchers optimize powder X-ray diffraction (XRD) and total scattering experiments. It visualizes accessible reciprocal space, saving time and improving experimental planning at synchrotron facilities.

Keywords:
X-ray diffractionX-ray scatteringexperiment planningsoftware toolssynchrotron facilities

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Area of Science:

  • Materials Science
  • Crystallography
  • Analytical Chemistry

Background:

  • Synchrotron beamlines offer flexible setups with multiple detectors and X-ray energies.
  • Navigating the parameter space for powder X-ray diffraction (XRD) and total scattering experiments can be complex.
  • Efficient experimental planning is crucial for maximizing beam time at synchrotron facilities.

Purpose of the Study:

  • To introduce xrdPlanner, a software tool for planning XRD and total scattering experiments.
  • To enable users to visualize accessible reciprocal space based on experimental parameters.
  • To facilitate efficient communication and preparation between users and beamline staff.

Main Methods:

  • Development of a software package, xrdPlanner.
  • Implementation of visualization tools for reciprocal space.
  • Integration of photon energy and detector geometry parameters.

Main Results:

  • xrdPlanner provides a fast and straightforward method for exploring experimental parameter space.
  • Users can visualize the accessible reciprocal space for their specific experimental conditions.
  • The software aids in planning detector geometry and achievable momentum transfer.

Conclusions:

  • xrdPlanner is a valuable tool for optimizing powder XRD and total scattering experiments.
  • The software enhances experimental planning and communication at synchrotron facilities.
  • It can also benefit other area detector experiments where momentum transfer is critical.