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The Xray module includes support for:

  • Reading/writing of MTZ files
  • Writing of CNS/CCP4 Map files
  • Anisotropic scaling of model to data
  • Bulk solvent correction of models using a continuous function
  • SigmaA computation
  • Likelihood target function
  • Structure factor derivatives
  • Atomic X-ray and neutron derivatives
  • Crystallography statistics (R, Rfree, etc)