Data quality metrics extracted from 5nku.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": "2e28535a763b2c4354d9b53b7d4860aa",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 52.427,
    "b": 53.015,
    "c": 55.337,
    "alpha": 107.30,
    "beta": 98.54,
    "gamma": 109.86
  },
  "wavelengths": [2.00000,4.00000,1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.489,2.00],
    "number_observations_unique": 27988,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 5.6
      },
      {
        "type": "Completeness",
        "value": 80.6
      },
      {
        "type": "Redundancy",
        "value": 2.6
      }
    ]
  }
}
  

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


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