Data quality metrics extracted from 8cgo.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": "eb28bc543986d2265cf1b7eef0585cea",
  "space_group_name": "I 4 2 2",
  "unit_cell": {
    "a": 153.388,
    "b": 153.388,
    "c": 126.467,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97951],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [76.69,2.65],
    "number_observations_unique": 22244,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1405
      },
      {
        "type": "R(meas)",
        "value": 0.1433
      },
      {
        "type": "R(pim)",
        "value": 0.02809
      },
      {
        "type": "I/SigI",
        "value": 21.57
      },
      {
        "type": "Completeness",
        "value": 99.90
      },
      {
        "type": "Redundancy",
        "value": 26.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.745,2.65],
      "number_observations_unique": 2181,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.729
        },
        {
          "type": "R(meas)",
          "value": 1.761
        },
        {
          "type": "R(pim)",
          "value": 0.3356
        },
        {
          "type": "I/SigI",
          "value": 2.27
        },
        {
          "type": "Completeness",
          "value": 99.95
        },
        {
          "type": "Redundancy",
          "value": 27.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.84
        }
      ]
    }
  ]

}
  

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


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