eSlice dynamical refinement

eSlice dynamical refinement

The eSlice Dynamical Refinement Program is a software that allows you to refine atomic and other parameters for a given crystal structure model against experimentally measured selected area or nano-beam electron diffraction amplitudes using dynamical calculation methods (multislice in version 1.0).

Structure model management and refinement

  • crystal structure model loading in different popular crystallographic formats (CIF, XYZ, PDB, INS)
  • loading and visualization of experimental and calculated electron diffraction intensities (individual zone axes)
  • free variables management
  • atomic parameters (x-, y-, z-coordinate, occupancy and Uiso) management
  • calculation of dynamical intensities using FFT multislice method (optimized for modern multi-core CPUs)