Data quality metrics extracted from 9ikp.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": "c06d8f3f0042100d62e3e0d35383ca78",
  "space_group_name": "P 31",
  "unit_cell": {
    "a": 100.656,
    "b": 100.656,
    "c": 36.188,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.68],
    "number_observations_unique": 48861,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 21.38
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 9.89
      },
      {
        "type": "CC(1/2)",
        "value": 0.9974
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.75,1.68],
      "number_observations_unique": 5694,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.9581
        }
      ]
    }
  ]

}
  

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


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