Data quality metrics extracted from 4wbq.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": "e000f27eab1f0d61ced6fd41d8f30c2e",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 77.04,
    "b": 77.04,
    "c": 112.31,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [2.06640],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43,2.693],
    "number_observations_unique": 20707,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 37.1
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 154.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.26,2.2],
      "number_observations_unique": 2661,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.134
        },
        {
          "type": "I/SigI",
          "value": 16.94
        },
        {
          "type": "Completeness",
          "value": 86.8
        }
      ]
    }
  ]

}
  

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


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