Data quality metrics extracted from 8a5f.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": "4c04533605d58e553479fc9150546b20",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 179.318,
    "b": 38.040,
    "c": 36.353,
    "alpha": 90.00,
    "beta": 90.96,
    "gamma": 90.00
  },
  "wavelengths": [0.97926],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.823,1.38],
    "number_observations_unique": 50163,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 8.9
      },
      {
        "type": "Completeness",
        "value": 98.9
      },
      {
        "type": "Redundancy",
        "value": 2.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.47,1.38],
      "number_observations_unique": 8090,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.46
        }
      ]
    }
  ]

}
  

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


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