Data quality metrics extracted from 8gk3.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": "67141fbdd6194c75da38361d339db5c9",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 114.516,
    "b": 219.381,
    "c": 130.447,
    "alpha": 90.000,
    "beta": 102.165,
    "gamma": 90.000
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.94,2.6],
    "number_observations_unique": 190994,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.115
      },
      {
        "type": "R(pim)",
        "value": 0.046
      },
      {
        "type": "I/SigI",
        "value": 10.3
      },
      {
        "type": "Completeness",
        "value": 99.1
      },
      {
        "type": "Redundancy",
        "value": 7
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.74,2.6],
      "number_observations_unique": 27624,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.878
        },
        {
          "type": "CC(1/2)",
          "value": 0.473
        }
      ]
    }
  ]

}
  

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


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