Data quality metrics extracted from 5kzp.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": "11837b2ce5044c598278b1a459a0259f",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 47.070,
    "b": 94.538,
    "c": 126.758,
    "alpha": 91.84,
    "beta": 94.95,
    "gamma": 97.91
  },
  "wavelengths": [1.03300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.49,2.26],
    "number_observations_unique": 186500,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.069
      },
      {
        "type": "I/SigI",
        "value": 11.40
      },
      {
        "type": "Completeness",
        "value": 92.66
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  }
}
  

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


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