Data quality metrics extracted from 6xqq.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": "296f046262fd984addd04a36e383515f",
  "space_group_name": "P 43 2 2",
  "unit_cell": {
    "a": 115.222,
    "b": 115.222,
    "c": 183.992,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.99,2.68],
    "number_observations_unique": 35384,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 26.62
      },
      {
        "type": "Completeness",
        "value": 99.56
      },
      {
        "type": "Redundancy",
        "value": 2
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.78,2.68],
      "number_observations_unique": 3444,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.799
        }
      ]
    }
  ]

}
  

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


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