Data quality metrics extracted from 8gnn.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": "90a9537a74d998419f7d843995f944b9",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 53.188,
    "b": 136.303,
    "c": 154.046,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20,2.119],
    "number_observations_unique": 64368,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06731
      },
      {
        "type": "R(meas)",
        "value": 0.07296
      },
      {
        "type": "I/SigI",
        "value": 18.26
      },
      {
        "type": "Completeness",
        "value": 99.86
      },
      {
        "type": "Redundancy",
        "value": 6.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.24,2.119],
      "number_observations_unique": 6285,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.916
        },
        {
          "type": "R(meas)",
          "value": 0.887
        },
        {
          "type": "I/SigI",
          "value": 2.12
        },
        {
          "type": "Completeness",
          "value": 99.56
        },
        {
          "type": "CC(1/2)",
          "value": 0.761
        }
      ]
    }
  ]

}
  

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


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