Object-oriented crystallographic library and program, for the analysis of Crystal structures from scattering experiments: optimized scattering computation, Graphical interface for structures and data, global optimization algorithms.

Features

  • View Crystal structures
  • Solve Crystal structure from diffraction data
  • Diffraction powder pattern auto-indexing
  • Simulate diffraction data (powder pattern and single crystal)

Project Samples

Fourier maps: Fobs (green), Icalc-Iobs (blue +2sig red -2sig Fox working on an aluminimium methyl-phosphonate structure

Project Activity

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