Data quality metrics extracted from 8ugt.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": "a4e2b01df15997dd16291099ae88f01b",
  "space_group_name": "P 64 2 2",
  "unit_cell": {
    "a": 179.938,
    "b": 179.938,
    "c": 132.792,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.98,2.65],
    "number_observations_unique": 37256,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03524
      },
      {
        "type": "R(meas)",
        "value": 0.04984
      },
      {
        "type": "R(pim)",
        "value": 0.03524
      },
      {
        "type": "I/SigI",
        "value": 13.74
      },
      {
        "type": "Completeness",
        "value": 99.95
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.745,2.65],
      "number_observations_unique": 3623,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5127
        },
        {
          "type": "R(meas)",
          "value": 0.7251
        },
        {
          "type": "R(pim)",
          "value": 0.5127
        },
        {
          "type": "I/SigI",
          "value": 1.36
        },
        {
          "type": "CC(1/2)",
          "value": 0.57
        }
      ]
    }
  ]

}
  

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


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