Data quality metrics extracted from 8uf2.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": "a3615a58fc684555343c6cd43ad21466",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 46.665,
    "b": 52.002,
    "c": 61.865,
    "alpha": 85.581,
    "beta": 75.304,
    "gamma": 76.949
  },
  "wavelengths": [0.97960],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.60],
    "number_observations_unique": 53261,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 19.4
      },
      {
        "type": "Completeness",
        "value": 73.65
      },
      {
        "type": "Redundancy",
        "value": 2.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.63,1.60],
      "number_observations_unique": 576,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.67
        }
      ]
    }
  ]

}
  

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


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