Data quality metrics extracted from 9kek.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "3904054b5a23ba5ca69beea12d282a74",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 73.956,
    "b": 65.758,
    "c": 69.633,
    "alpha": 90.000,
    "beta": 96.218,
    "gamma": 90.000
  },
  "wavelengths": [1.01800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.93,2.11],
    "number_observations_unique": 38343,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.089
      },
      {
        "type": "I/SigI",
        "value": 16.8
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  }
}
  

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


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