Data quality metrics extracted from 6jdk.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": "fc7a1ee1616100969274b131b1565460",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 90.831,
    "b": 55.049,
    "c": 118.099,
    "alpha": 90.00,
    "beta": 95.25,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.495],
    "number_observations_unique": 39987,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.097
      },
      {
        "type": "I/SigI",
        "value": 2.8
      },
      {
        "type": "Completeness",
        "value": 98.1
      },
      {
        "type": "Redundancy",
        "value": 5.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.977
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.54,2.5],
      "number_observations_unique": 1830,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.378
        },
        {
          "type": "CC(1/2)",
          "value": 0.638
        }
      ]
    }
  ]

}
  

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


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