Data quality metrics extracted from 8ix9.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": "21ef5d803c815a831ced26e0db513714",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 192.226,
    "b": 48.153,
    "c": 128.305,
    "alpha": 90.0,
    "beta": 129.7,
    "gamma": 90.0
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [26.12,2.198],
    "number_observations_unique": 90500,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 11.3
      },
      {
        "type": "Completeness",
        "value": 98.8
      },
      {
        "type": "Redundancy",
        "value": 8.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.28,2.2],
      "number_observations_unique": 4378,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.87
        }
      ]
    }
  ]

}
  

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


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