Data quality metrics extracted from 9gzu.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": "b3b92b4c3f485efa923ad6dfcad85f52",
  "space_group_name": "F 4 3 2",
  "unit_cell": {
    "a": 173.78,
    "b": 173.78,
    "c": 173.78,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.04390],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.45,1.97],
    "number_observations_unique": 16541,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1487
      },
      {
        "type": "R(meas)",
        "value": 0.1497
      },
      {
        "type": "R(pim)",
        "value": 0.01709
      },
      {
        "type": "I/SigI",
        "value": 36.62
      },
      {
        "type": "Completeness",
        "value": 99.95
      },
      {
        "type": "Redundancy",
        "value": 76.7
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.041,1.97],
      "number_observations_unique": 1585,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.363
        },
        {
          "type": "R(meas)",
          "value": 1.372
        },
        {
          "type": "R(pim)",
          "value": 0.1531
        },
        {
          "type": "I/SigI",
          "value": 4.67
        },
        {
          "type": "Completeness",
          "value": 99.94
        },
        {
          "type": "Redundancy",
          "value": 79.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.946
        }
      ]
    }
  ]

}
  

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


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