Data quality metrics extracted from 6zzn.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": "937978d9eb2d771f5fe6fa50896d8446",
  "space_group_name": "F 4 3 2",
  "unit_cell": {
    "a": 214.073,
    "b": 214.073,
    "c": 214.073,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.96600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.112,1.500],
    "number_observations_unique": 67274,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.023
      },
      {
        "type": "I/SigI",
        "value": 15.2
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 17.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.526,1.500],
      "number_observations_unique": 3308,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.391
        },
        {
          "type": "CC(1/2)",
          "value": 0.748
        }
      ]
    }
  ]

}
  

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


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