Data quality metrics extracted from 6df8.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": "6f40efbaa78889410905d715dfae285a",
  "space_group_name": "C 2 2 2",
  "unit_cell": {
    "a": 44.371,
    "b": 184.267,
    "c": 104.938,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.03316],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.138,2.536],
    "number_observations_unique": 14573,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.117
      },
      {
        "type": "R(meas)",
        "value": 0.127
      },
      {
        "type": "I/SigI",
        "value": 10.94
      },
      {
        "type": "Completeness",
        "value": 98.65
      },
      {
        "type": "Redundancy",
        "value": 6.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.63,2.54],
      "number_observations_unique": 1268,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 87.27
        },
        {
          "type": "Redundancy",
          "value": 5.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.694
        }
      ]
    }
  ]

}
  

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


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