Data quality metrics extracted from 8kif.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": "90c89b30b3a0a9fa4b4c3338a4dd7ddf",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 43.822,
    "b": 77.951,
    "c": 99.833,
    "alpha": 82.814,
    "beta": 78.341,
    "gamma": 75.588
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [61.98,2.13],
    "number_observations_unique": 65034,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 10.5
      },
      {
        "type": "Completeness",
        "value": 93.4
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.25,2.13],
      "number_observations_unique": 9227,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.851
        }
      ]
    }
  ]

}
  

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


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