Data quality metrics extracted from 8qbu.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": "90f6304517b353f60f2883cb11b2e8ba",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 46.173,
    "b": 47.715,
    "c": 50.586,
    "alpha": 66.05,
    "beta": 89.72,
    "gamma": 88.97
  },
  "wavelengths": [0.85660],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.17,1.09],
    "number_observations_unique": 118499,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 6.5
      },
      {
        "type": "Completeness",
        "value": 72.9
      },
      {
        "type": "Redundancy",
        "value": 6.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.134,1.095],
      "number_observations_unique": 1763,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.608
        }
      ]
    }
  ]

}
  

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


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