Data quality metrics extracted from 5koe.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": "f93878d26583244bf19bca23ebc17198",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 81.748,
    "b": 80.150,
    "c": 157.616,
    "alpha": 90.00,
    "beta": 91.91,
    "gamma": 90.00
  },
  "wavelengths": [1.54188],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.79],
    "number_observations_unique": 191803,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0948
      },
      {
        "type": "I/SigI",
        "value": 11.61
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 7.75
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.89,1.79],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7225
        },
        {
          "type": "I/SigI",
          "value": 1.48
        },
        {
          "type": "Completeness",
          "value": 98.8
        },
        {
          "type": "Redundancy",
          "value": 5.32
        }
      ]
    }
  ]

}
  

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


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