Data quality metrics extracted from 5kku.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": "c44082511e0937661e4a8fdbcbdd8507",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 41.355,
    "b": 73.981,
    "c": 94.178,
    "alpha": 90.20,
    "beta": 90.08,
    "gamma": 90.66
  },
  "wavelengths": [1.03322],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.786,2.22],
    "number_observations_unique": 49121,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.104
      },
      {
        "type": "I/SigI",
        "value": 6.469
      },
      {
        "type": "Completeness",
        "value": 89.5
      },
      {
        "type": "Redundancy",
        "value": 1.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.26,2.22],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.348
        },
        {
          "type": "I/SigI",
          "value": 1.488
        },
        {
          "type": "Completeness",
          "value": 61.4
        },
        {
          "type": "Redundancy",
          "value": 1.4
        }
      ]
    }
  ]

}
  

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


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