Data quality metrics extracted from 5kqv.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": "9f3b15688407f6baf183295002998e80",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 118.150,
    "b": 140.100,
    "c": 190.022,
    "alpha": 90.00,
    "beta": 95.04,
    "gamma": 90.00
  },
  "wavelengths": [0.95369],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,4.4],
    "number_observations_unique": 17344,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.206
      },
      {
        "type": "I/SigI",
        "value": 2.77
      },
      {
        "type": "Completeness",
        "value": 87.7
      },
      {
        "type": "Redundancy",
        "value": 2.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [4.5,4.4],
      "number_observations_unique": 1064,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.31
        },
        {
          "type": "I/SigI",
          "value": 0.78
        },
        {
          "type": "Completeness",
          "value": 84.9
        },
        {
          "type": "Redundancy",
          "value": 2.8
        }
      ]
    }
  ]

}
  

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


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