Data quality metrics extracted from 3ukh.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": "131527ef5b03d1bcacb71adf43aa95b9",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 71.967,
    "b": 129.262,
    "c": 173.885,
    "alpha": 89.87,
    "beta": 84.64,
    "gamma": 81.21
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.548,2.300],
    "number_observations_unique": 266596,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06900
      },
      {
        "type": "I/SigI",
        "value": 8.6000
      },
      {
        "type": "Completeness",
        "value": 97.3
      },
      {
        "type": "Redundancy",
        "value": 3.940
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.38,2.30],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.43200
        },
        {
          "type": "I/SigI",
          "value": 2.600
        },
        {
          "type": "Completeness",
          "value": 88.4
        },
        {
          "type": "Redundancy",
          "value": 3.85
        }
      ]
    }
  ]

}
  

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


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