Data quality metrics extracted from 1kgy.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": "d60d9873ae6d59dc8434887a10f82e66",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 78.0,
    "b": 78.0,
    "c": 78.0,
    "alpha": 69.0,
    "beta": 75.0,
    "gamma": 69.0
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.0,2.7],
    "number_observations_unique": 42156,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.073
      },
      {
        "type": "Completeness",
        "value": 96.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.82,2.70],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.37
        },
        {
          "type": "Completeness",
          "value": 93.5
        }
      ]
    }
  ]

}
  

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


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