Data quality metrics extracted from 8d86.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": "c6cbfcd000baac75190f5379b0da9999",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 74.150,
    "b": 132.731,
    "c": 134.261,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.32,3.12],
    "number_observations_unique": 12130,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.134
      },
      {
        "type": "R(meas)",
        "value": 0.1449
      },
      {
        "type": "R(pim)",
        "value": 0.05436
      },
      {
        "type": "I/SigI",
        "value": 11.38
      },
      {
        "type": "Completeness",
        "value": 99.24
      },
      {
        "type": "Redundancy",
        "value": 7.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.232,3.12],
      "number_observations_unique": 1194,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.18
        },
        {
          "type": "R(meas)",
          "value": 1.269
        },
        {
          "type": "R(pim)",
          "value": 0.4648
        },
        {
          "type": "I/SigI",
          "value": 1.84
        },
        {
          "type": "Completeness",
          "value": 99.17
        },
        {
          "type": "Redundancy",
          "value": 7.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.898
        }
      ]
    }
  ]

}
  

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


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