Data quality metrics extracted from 4kk5.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": "8ce0929f8bc76d37ed5d974d790ba9fe",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 229.127,
    "b": 98.166,
    "c": 169.761,
    "alpha": 90.00,
    "beta": 131.73,
    "gamma": 90.00
  },
  "wavelengths": [0.91900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40,3.17],
    "number_observations_unique": 91572,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 98.8
      }
    ]
  }
}
  

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


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