Data quality metrics extracted from 5k9i.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": "02649e08a4750a0985f80537afb41a9f",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 42.012,
    "b": 63.306,
    "c": 73.770,
    "alpha": 78.85,
    "beta": 88.75,
    "gamma": 89.93
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [72.36,2.5],
    "number_observations_unique": 25009,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 16.41
      },
      {
        "type": "Completeness",
        "value": 97
      },
      {
        "type": "Redundancy",
        "value": 3.1
      }
    ]
  }
}
  

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


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