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Limitations

The symmetry operations built into the SnB program assume that the standard space groups listed in the International Tables are used. For monoclinic structures, the b-axis must be unique. Structures in rhombohedral space groups must be referred to hexagonal axes.

SnB Dimensions

  • Elements : 16
  • Cycles : 2,000
  • Peaks/atoms : 10,000
  • Reflections (after all cutoffs) : 400,000
  • Reflection hemisphere : 1,000,000
  • Triplet invariants : 500,000
  • Fourier grid points (full cell) : 10,000,000

DREAR Dimensions

  • SORTAV : 2,000,000 reflections
  • BAYES : 2,000,000 reflections
  • LEVY : 1,000,000 reflections
  • EVAL : 1,000,000 reflections
  • LOCSCL : 500,000 reflection pairs
  • DIFFE : 500,000 reflection pairs