Data quality metrics extracted from 4kg2.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": "03dcd0fb8a586692aadcf66dbec8dc56",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 117.836,
    "b": 78.751,
    "c": 98.095,
    "alpha": 90.0,
    "beta": 115.4,
    "gamma": 90.0
  },
  "wavelengths": [1.10000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.89],
    "number_observations_unique": 63866,
    "quality_factors": [

    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.97,1.89],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.6
        }
      ]
    }
  ]

}
  

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


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