What is it about?
Modelling diffraction from crystals with well behaved Gaussian functions. They are special because they are the only functions that are just shifted and scaled by the diffraction and don't change otherwise. The resulting model is therefore relatively easy to optimize.
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Why is it important?
With more advanced diffraction models, the diffraction images from experiments where rotation is not feasible can be used more efficiently. This saves time and effort during the experiment or leads to more precise results for a given time and effort spent on the experiment.
Perspectives
With more computing power, more advanced parameter optimization or more precise models, biologically relevant differences between individual crystals might become apparent.
Wolfgang Brehm
Center for Free-Electron Laser Science
Read the Original
This page is a summary of: Crystal diffraction prediction and partiality estimation using Gaussian basis functions, Acta Crystallographica Section A Foundations and Advances, February 2023, International Union of Crystallography,
DOI: 10.1107/s2053273323000682.
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