Data quality metrics extracted from 3wgj.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": "f50cd8589d844d0ebcc78c22ccb1d1ed",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 43.955,
    "b": 43.862,
    "c": 86.488,
    "alpha": 96.91,
    "beta": 102.34,
    "gamma": 109.38
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.179],
    "number_observations_unique": 29191,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 95.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.22,2.18],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.2
        }
      ]
    }
  ]

}
  

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


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