Data quality metrics extracted from 4ubn.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": "5b630318db7311b2c27ffa09a6f758fc",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 49.303,
    "b": 101.351,
    "c": 222.991,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.93930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.130,2.02],
    "number_observations_unique": 36959,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.11600
      },
      {
        "type": "I/SigI",
        "value": 9.2000
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 5.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.07,2.02],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.597
        },
        {
          "type": "I/SigI",
          "value": 1.800
        },
        {
          "type": "Completeness",
          "value": 91.0
        },
        {
          "type": "Redundancy",
          "value": 3.6
        }
      ]
    }
  ]

}
  

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


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