Data quality metrics extracted from 4bkd.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": "480254aa5b7f60fea4b150177f0027c4",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 112.925,
    "b": 44.693,
    "c": 31.976,
    "alpha": 90.00,
    "beta": 91.13,
    "gamma": 90.00
  },
  "wavelengths": [0.88650],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.45,1.17],
    "number_observations_unique": 52883,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03
      },
      {
        "type": "I/SigI",
        "value": 17.00
      },
      {
        "type": "Completeness",
        "value": 97.8
      },
      {
        "type": "Redundancy",
        "value": 3.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.23,1.17],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.59
        },
        {
          "type": "I/SigI",
          "value": 2.00
        },
        {
          "type": "Completeness",
          "value": 91.4
        },
        {
          "type": "Redundancy",
          "value": 2.8
        }
      ]
    }
  ]

}
  

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


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