Data quality metrics extracted from 4k4b.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": "05c695c99a676b1fd9cfa3ff378b392c",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 57.970,
    "b": 68.577,
    "c": 81.144,
    "alpha": 78.93,
    "beta": 84.69,
    "gamma": 76.46
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.886,1.9],
    "number_observations_unique": 87554,
    "quality_factors": [
      {
        "type": "Redundancy",
        "value": 8.2
      }
    ]
  }
}
  

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


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