Data quality metrics extracted from 8d6g.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": "90a26784516b6aba4fe2761f366aa634",
  "space_group_name": "H 3",
  "unit_cell": {
    "a": 229.046,
    "b": 229.046,
    "c": 67.428,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.03317],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.29,2.2],
    "number_observations_unique": 66067,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05218
      },
      {
        "type": "I/SigI",
        "value": 12.66
      },
      {
        "type": "Completeness",
        "value": 98.60
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.279,2.2],
      "number_observations_unique": 6127,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.89
        },
        {
          "type": "CC(1/2)",
          "value": 0.465
        }
      ]
    }
  ]

}
  

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


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