Data quality metrics extracted from 8gcv.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": "8d4ac40d90de81a0748e83798694557b",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 79.64,
    "b": 98.09,
    "c": 110.88,
    "alpha": 90.00,
    "beta": 108.45,
    "gamma": 90.00
  },
  "wavelengths": [1.26000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [22.14,2.2],
    "number_observations_unique": 83447,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.23
      },
      {
        "type": "I/SigI",
        "value": 4.38
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 453
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.3,2.2],
      "number_observations_unique": 8251,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.3
        }
      ]
    }
  ]

}
  

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


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