Data quality metrics extracted from 4cdk.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": "44a658654d2892e331d60bce7ad2a596",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 51.70,
    "b": 80.16,
    "c": 82.98,
    "alpha": 66.27,
    "beta": 81.36,
    "gamma": 80.66
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [75.63,2.80],
    "number_observations_unique": 29157,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09
      },
      {
        "type": "Completeness",
        "value": 95.4
      },
      {
        "type": "Redundancy",
        "value": 2.2
      }
    ]
  }
}
  

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


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