Data quality metrics extracted from 8r39.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": "2101d612549f4a4899227fd32ee60e1b",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 78.444,
    "b": 78.444,
    "c": 105.176,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.96770],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.06,2.20],
    "number_observations_unique": 25869,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 14
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 8
      },
      {
        "type": "CC(1/2)",
        "value": 0.95
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [4.9,2.2],
      "number_observations_unique": 3405,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.78
        }
      ]
    }
  ]

}
  

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


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