Data quality metrics extracted from 7bkz.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": "8f4bd5cc5259eb7665862a5620d8038d",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 53.103,
    "b": 73.949,
    "c": 45.779,
    "alpha": 90.00,
    "beta": 109.33,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.2,1.9],
    "number_observations_unique": 26375,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.053
      },
      {
        "type": "I/SigI",
        "value": 9.7
      },
      {
        "type": "Completeness",
        "value": 99.86
      },
      {
        "type": "Redundancy",
        "value": 6.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.968,1.9],
      "number_observations_unique": 14079,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.3776
        },
        {
          "type": "I/SigI",
          "value": 1.68
        },
        {
          "type": "CC(1/2)",
          "value": 0.692
        }
      ]
    }
  ]

}
  

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


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