Data quality metrics extracted from 3wpc.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.2",
  "uuid": "ee038baa17e80f7d1fc958624ed06fc1",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 68.762,
    "b": 81.624,
    "c": 81.519,
    "alpha": 87.50,
    "beta": 83.50,
    "gamma": 85.98
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.60],
    "number_observations_unique": 211265,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.078
      }
    ]
  }
}
  

Table 1 generated from MXLIMS-JSON (via JavaScript):


Binned data generated from MXLIMS-JSON (via JavaScript):