Data quality metrics extracted from 4kr3.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": "11a31e593df6903e5819ef86f9f8558f",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 134.834,
    "b": 87.410,
    "c": 80.592,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,3.235],
    "number_observations_unique": 14068,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.139
      },
      {
        "type": "I/SigI",
        "value": 9.59
      },
      {
        "type": "Completeness",
        "value": 90.7
      },
      {
        "type": "Redundancy",
        "value": 2.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.37,3.25],
      "number_observations_unique": 1462,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.56
        },
        {
          "type": "I/SigI",
          "value": 3.87
        },
        {
          "type": "Completeness",
          "value": 96.4
        },
        {
          "type": "Redundancy",
          "value": 3.2
        }
      ]
    }
  ]

}
  

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


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