Data quality metrics extracted from 3kdf.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": "99201a8fe5f04ca42ec868b0d728563c",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 66.68,
    "b": 77.70,
    "c": 121.30,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.96860,0.97947],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,1.970],
    "number_observations_unique": 43894,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.101
      },
      {
        "type": "I/SigI",
        "value": 12.100
      },
      {
        "type": "Completeness",
        "value": 97.900
      },
      {
        "type": "Redundancy",
        "value": 13.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.00,1.97],
      "number_observations_unique": 1813,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.566
        },
        {
          "type": "Completeness",
          "value": 82.70
        },
        {
          "type": "Redundancy",
          "value": 8.80
        }
      ]
    }
  ]

}
  

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


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