Data quality metrics extracted from 4bqn.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": "495f3ad35f46aa6925a897d9ec5cb6ca",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 46.92,
    "b": 68.00,
    "c": 71.49,
    "alpha": 63.04,
    "beta": 76.45,
    "gamma": 69.95
  },
  "wavelengths": [0.97780],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [24.15,1.38],
    "number_observations_unique": 397472,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.02
      },
      {
        "type": "I/SigI",
        "value": 55.90
      },
      {
        "type": "Completeness",
        "value": 92.3
      },
      {
        "type": "Redundancy",
        "value": 2.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.42,1.38],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.18
        },
        {
          "type": "I/SigI",
          "value": 5.70
        },
        {
          "type": "Completeness",
          "value": 59.4
        },
        {
          "type": "Redundancy",
          "value": 2.5
        }
      ]
    }
  ]

}
  

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


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