What infomation does CRYSTALS need?
List 1 – Cell List 2 – Symmetry List 3 – Scattering factors List 4 – Weighting scheme (default – unit weights) List 5 – Parameters (model) List 6 – Observations (reflections) AND/OR List 16 – Observations (restraints) List 12 – Refinement instructions List 23 – Refinement options List 28 – Reflection acceptance criteria (default – all) List 29 – Asymmetric unit contents