Data quality metrics extracted from 6koe.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": "307287952d19f225430e91bbdccd3027",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 112.988,
    "b": 162.110,
    "c": 149.509,
    "alpha": 90.00,
    "beta": 109.02,
    "gamma": 90.00
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.2520,3.75],
    "number_observations_unique": 52047,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.227
      },
      {
        "type": "I/SigI",
        "value": 3.9
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 3.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.854
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.87,3.75],
      "number_observations_unique": 4517,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.337
        },
        {
          "type": "CC(1/2)",
          "value": 0.437
        }
      ]
    }
  ]

}
  

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


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