Doses for X-ray and electron diffraction: New features in RADDOSE-3D including intensity decay models

Protein Sci. 2024 Jul;33(7):e5005. doi: 10.1002/pro.5005.

Abstract

New features in the dose estimation program RADDOSE-3D are summarised. They include the facility to enter a diffraction intensity decay model which modifies the "Diffraction Weighted Dose" output from a "Fluence Weighted Dose" to a "Diffraction-Decay Weighted Dose", a description of RADDOSE-ED for use in electron diffraction experiments, where dose is historically quoted in electrons/Å2 rather than in gray (Gy), and finally the development of a RADDOSE-3D GUI, enabling easy access to all the options available in the program.

Keywords: MicroED; RADDOSE‐3D; diffraction‐decay weighted dose; dose; graphical user interface; intensity decay model; radiation damage.

MeSH terms

  • Electrons*
  • Software
  • X-Ray Diffraction* / methods