Data quality metrics extracted from 8wi6.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": "b9cddb45bce02e3b66b1f7e6d84a5f35",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 76.927,
    "b": 83.833,
    "c": 61.922,
    "alpha": 90.00,
    "beta": 100.52,
    "gamma": 90.00
  },
  "wavelengths": [0.97860],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.916],
    "number_observations_unique": 29297,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.052
      },
      {
        "type": "I/SigI",
        "value": 14.64
      },
      {
        "type": "Completeness",
        "value": 97.9
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.985,1.916],
      "number_observations_unique": 2606,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 3.85
        },
        {
          "type": "CC(1/2)",
          "value": 0.951
        }
      ]
    }
  ]

}
  

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


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