Data quality metrics extracted from 8d6h.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": "4fc8bdebc05b68c71f04ca4ed910155e",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 29.698,
    "b": 66.972,
    "c": 63.817,
    "alpha": 90.000,
    "beta": 92.102,
    "gamma": 90.000
  },
  "wavelengths": [1.12720],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.49,1.60],
    "number_observations_unique": 14878,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.080
      },
      {
        "type": "R(pim)",
        "value": 0.034
      },
      {
        "type": "I/SigI",
        "value": 33704
      },
      {
        "type": "Completeness",
        "value": 90.18
      },
      {
        "type": "Redundancy",
        "value": 6.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.658,1.601],
      "number_observations_unique": 1476,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.361
        },
        {
          "type": "R(pim)",
          "value": 0.140
        },
        {
          "type": "Completeness",
          "value": 88.56
        },
        {
          "type": "CC(1/2)",
          "value": 0.961
        }
      ]
    }
  ]

}
  

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


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