Correcting Multiple Scattering Enables Dynamical Electron Crystallography in Standard Workflows

GROND, an open-source dynamical scattering correction tool for electron crystallography, improves refinement residuals across six structures and enables validated dynamical refinement in standard workflows.

• Why it matters: Standard electron crystallography software ignores multiple scattering, producing high residuals and noisy maps, while dynamical refinement typically requires new, nonstandard workflows.
• What they did: GROND applies dynamical scattering corrections between conventional processing and refinement, averaging over crystal thickness, evaluating both chiral hands from one matrix, and using smooth frame scales per dataset.
• The result: Across six structures from amino acids to a metal-organic framework, GROND improves refinement residuals, reveals unmodeled hydrogen atoms in small molecules and guest ions in a porous framework, validated with held-out reflections and laptop refinements.