Data quality metrics extracted from 4jui.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": "867a359a63e9b14cfb7c7d5fcba3d3d1",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 47.212,
    "b": 62.943,
    "c": 84.412,
    "alpha": 70.66,
    "beta": 85.49,
    "gamma": 79.51
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [65,1.7],
    "number_observations_unique": 90575,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.051
      },
      {
        "type": "I/SigI",
        "value": 23.3
      },
      {
        "type": "Completeness",
        "value": 91
      },
      {
        "type": "Redundancy",
        "value": 6.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.79,1.70],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.305
        },
        {
          "type": "I/SigI",
          "value": 4.9
        },
        {
          "type": "Completeness",
          "value": 83.2
        },
        {
          "type": "Redundancy",
          "value": 5.2
        }
      ]
    }
  ]

}
  

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


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