Data quality metrics extracted from 9n8o.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": "903adcbf37d15030582f9a9fcc37b8a2",
  "space_group_name": "I 4 2 2",
  "unit_cell": {
    "a": 111.755,
    "b": 111.755,
    "c": 176.888,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97934],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [94.48,2.05],
    "number_observations_unique": 20890,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.598
      },
      {
        "type": "R(meas)",
        "value": 0.618
      },
      {
        "type": "R(pim)",
        "value": 0.153
      },
      {
        "type": "I/SigI",
        "value": 5.4
      },
      {
        "type": "Completeness",
        "value": 86.7
      },
      {
        "type": "Redundancy",
        "value": 15.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.975
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.295,2.05],
      "number_observations_unique": 1044,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.756
        },
        {
          "type": "R(meas)",
          "value": 2.862
        },
        {
          "type": "R(pim)",
          "value": 0.759
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Completeness",
          "value": 52.6
        },
        {
          "type": "Redundancy",
          "value": 13.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.488
        }
      ]
    }
  ]

}
  

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


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