Data quality metrics extracted from 5kbj.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": "2838bd4f479d29f8fe873c0abb7e2acc",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 59.2,
    "b": 77.5,
    "c": 100.7,
    "alpha": 80.8,
    "beta": 75.5,
    "gamma": 71.9
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [97.10,3.09],
    "number_observations_unique": 28484,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 7
      },
      {
        "type": "Completeness",
        "value": 94.5
      },
      {
        "type": "Redundancy",
        "value": 1.8
      }
    ]
  }
}
  

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


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