Data quality metrics extracted from 14ut.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "e1a77370c22400ff111abb0e869c2b87",
  "space_group_name": "P 65",
  "unit_cell": {
    "a": 88.671,
    "b": 88.671,
    "c": 180.323,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.91976],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.053,2.268],
    "number_observations": 497842,
    "number_observations_unique": 37098,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.310
      },
      {
        "type": "R(meas)",
        "value": 0.322
      },
      {
        "type": "R(pim)",
        "value": 0.088
      },
      {
        "type": "I/SigI",
        "value": 6.5
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 13.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.307,2.268],
      "number_observations": 24358,
      "number_observations_unique": 1831,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.267
        },
        {
          "type": "R(meas)",
          "value": 2.358
        },
        {
          "type": "R(pim)",
          "value": 0.646
        },
        {
          "type": "Redundancy",
          "value": 13.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.410
        }
      ]
    }
  ]

}
  

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


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