Data quality metrics extracted from 1kxk.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": "36e2a502d6f1054a9a0f85bdf6c6e2ea",
  "space_group_name": "P 61 2 2",
  "unit_cell": {
    "a": 90.987,
    "b": 90.987,
    "c": 235.891,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.10000,0.92000,0.91940,0.92730,0.90200],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30,3.0],
    "number_observations_unique": 10014,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0540000
      },
      {
        "type": "I/SigI",
        "value": 23.4
      },
      {
        "type": "Completeness",
        "value": 81.5
      },
      {
        "type": "Redundancy",
        "value": 15.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.11,3.00],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4300000
        },
        {
          "type": "I/SigI",
          "value": 3.0
        },
        {
          "type": "Completeness",
          "value": 51.7
        }
      ]
    }
  ]

}
  

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


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