Dynamical refinement against 3D-ED data in Olex2–AutoChem using the N-Beam approach

Dynamical diffraction effects, long recognized as a complicating factor in the analysis of crystal structures based on electron diffraction data, can now be modelled directly within Olex2–AutoChem [Dolomanov et al. (2009). J. Appl. Cryst. 42 , 339–341] when using diffraction data processed with the Rigaku CrysAlisPro data reduction software. The newly implemented N-Beam refinement approach, based on the Bloch-wave formalism, integrates seamlessly with the AutoChem [Matsumoto et al. (2021). J. Chem. Crystallogr. 51 , 438–450] interface that links CrysAlisPro and Olex2 . Fully integrated intensities derived from rotation electron diffraction experiments can be refined dynamically, yielding improved structure models and enabling the determination of absolute structure configuration from electron diffraction data. The workflow provides a direct, accessible route from experiment to dynamical refinement within a familiar software environment.