Data quality metrics extracted from 6kgu.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": "cbf4441eb9df5cc7b5009a2b3f409ee4",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 96.90,
    "b": 84.64,
    "c": 90.22,
    "alpha": 90.00,
    "beta": 111.95,
    "gamma": 90.00
  },
  "wavelengths": [0.97760],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.94,2.10],
    "number_observations_unique": 38528,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 12.43
      },
      {
        "type": "Completeness",
        "value": 98
      },
      {
        "type": "Redundancy",
        "value": 7.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.18,2.10],
      "number_observations_unique": 3748,
      "quality_factors": [

      ]
    }
  ]

}
  

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


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