Data quality metrics extracted from 8gii.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": "9a3ef90c49b5cbc3c03708f9acad9091",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 50.919,
    "b": 51.117,
    "c": 56.890,
    "alpha": 78.66,
    "beta": 84.90,
    "gamma": 64.87
  },
  "wavelengths": [0.97932],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [27.89,1.827],
    "number_observations_unique": 43422,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.085
      },
      {
        "type": "I/SigI",
        "value": 7.3
      },
      {
        "type": "Completeness",
        "value": 89.95
      },
      {
        "type": "Redundancy",
        "value": 2.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.892,1.827],
      "number_observations_unique": 3405,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.442
        },
        {
          "type": "I/SigI",
          "value": 1.4
        },
        {
          "type": "Completeness",
          "value": 75.38
        },
        {
          "type": "CC(1/2)",
          "value": 0.558
        }
      ]
    }
  ]

}
  

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


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