Data quality metrics extracted from 4wnq.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": "75cf5ab4e73a44c66f16f6a9e3f932c3",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 39.257,
    "b": 47.235,
    "c": 109.290,
    "alpha": 88.32,
    "beta": 79.78,
    "gamma": 89.93
  },
  "wavelengths": [0.95300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [53.750,1.800],
    "number_observations_unique": 69885,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 14.5000
      },
      {
        "type": "Completeness",
        "value": 96.3
      },
      {
        "type": "Redundancy",
        "value": 3.900
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.90,1.80],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 3.400
        },
        {
          "type": "Completeness",
          "value": 96.4
        },
        {
          "type": "Redundancy",
          "value": 3.90
        }
      ]
    }
  ]

}
  

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


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