Data quality metrics extracted from 8kak.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": "cee2a4a7a278b8f2aebe6afa214c3885",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 70.742,
    "b": 104.970,
    "c": 184.309,
    "alpha": 75.819,
    "beta": 78.675,
    "gamma": 72.631
  },
  "wavelengths": [0.97852],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,3.60],
    "number_observations_unique": 52766,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.176
      },
      {
        "type": "I/SigI",
        "value": 4.11
      },
      {
        "type": "Completeness",
        "value": 94.6
      },
      {
        "type": "Redundancy",
        "value": 2.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.72,3.60],
      "number_observations_unique": 2595,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.708
        },
        {
          "type": "Completeness",
          "value": 93.2
        },
        {
          "type": "Redundancy",
          "value": 2.6
        }
      ]
    }
  ]

}
  

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


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