Data quality metrics extracted from 6d78.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": "3ce05b665d382b50a3d79fc6c392c9ce",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 226.900,
    "b": 44.086,
    "c": 83.219,
    "alpha": 90.00,
    "beta": 106.43,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40,2.347],
    "number_observations_unique": 33491,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 11.04
      },
      {
        "type": "Completeness",
        "value": 99.55
      },
      {
        "type": "Redundancy",
        "value": 2
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.431,2.347],
      "number_observations_unique": 6397,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.856
        }
      ]
    }
  ]

}
  

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


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