Data quality metrics extracted from 9rkg.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "d6e737fd18fb1aa4f9cb46272bf451a0",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 111.94,
    "b": 172.23,
    "c": 41.23,
    "alpha": 90.0,
    "beta": 106.2,
    "gamma": 90.0
  },
  "wavelengths": [1.02940],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [53.75,2.45],
    "number_observations_unique": 27481,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 8.27
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 467
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.54,2.45],
      "number_observations_unique": 2741,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 0.74
        }
      ]
    }
  ]

}
  

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


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