Data quality metrics extracted from 4k8s.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": "0d84970d15e23ae3436b9afa5feb58d0",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 81.841,
    "b": 102.563,
    "c": 101.318,
    "alpha": 90.00,
    "beta": 105.24,
    "gamma": 90.00
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.,2.39],
    "number_observations_unique": 63742,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08
      },
      {
        "type": "Completeness",
        "value": 82
      }
    ]
  }
}
  

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


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