Data quality metrics extracted from 8gkm.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": "6d6ba6e4594e0472371f37a5fab3a904",
  "space_group_name": "P 2 21 21",
  "unit_cell": {
    "a": 41.805,
    "b": 123.415,
    "c": 175.171,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.95360],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.79,1.89],
    "number_observations_unique": 73788,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03607
      },
      {
        "type": "I/SigI",
        "value": 9.93
      },
      {
        "type": "Completeness",
        "value": 99.85
      },
      {
        "type": "Redundancy",
        "value": 2
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.958,1.89],
      "number_observations_unique": 7226,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6918
        },
        {
          "type": "R(pim)",
          "value": 0.6918
        },
        {
          "type": "CC(1/2)",
          "value": 0.599
        }
      ]
    }
  ]

}
  

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


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