Data quality metrics extracted from 4kfu.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": "14535d5b52166c3cf0aa778109c9829d",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 46.558,
    "b": 65.227,
    "c": 72.118,
    "alpha": 90.85,
    "beta": 93.77,
    "gamma": 91.56
  },
  "wavelengths": [0.87260],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.717,1.89],
    "number_observations_unique": 65868,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.085
      },
      {
        "type": "I/SigI",
        "value": 11.78
      },
      {
        "type": "Completeness",
        "value": 97.4
      },
      {
        "type": "Redundancy",
        "value": 3.94
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.01,1.89],
      "number_observations_unique": 10093,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.708
        },
        {
          "type": "I/SigI",
          "value": 1.94
        },
        {
          "type": "Completeness",
          "value": 92.4
        },
        {
          "type": "Redundancy",
          "value": 3.90
        }
      ]
    }
  ]

}
  

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


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