Data quality metrics extracted from 8fau.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": "343fabf9d3f803fb45f495ad74f9f4ed",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.144,
    "b": 41.316,
    "c": 71.919,
    "alpha": 90.000,
    "beta": 104.541,
    "gamma": 90.000
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.54,1.44],
    "number_observations_unique": 75411,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 15
      },
      {
        "type": "Completeness",
        "value": 92.4
      },
      {
        "type": "Redundancy",
        "value": 4.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.49,1.44],
      "number_observations_unique": 1497,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.892
        }
      ]
    }
  ]

}
  

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


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