Data quality metrics extracted from 5ugh.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": "3b11357189f812cc196703d11f6c3525",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 99.731,
    "b": 109.100,
    "c": 149.012,
    "alpha": 90.00,
    "beta": 100.04,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.14,2.062],
    "number_observations_unique": 96483,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03252
      },
      {
        "type": "I/SigI",
        "value": 13.92
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 1.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.135,2.062],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3049
        },
        {
          "type": "I/SigI",
          "value": 2.22
        },
        {
          "type": "Completeness",
          "value": 99.94
        },
        {
          "type": "Redundancy",
          "value": 2.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.903
        }
      ]
    }
  ]

}
  

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


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