Data quality metrics extracted from 6iqf.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": "b19b43575f24cf14f08c51549f7f7ebe",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 80.987,
    "b": 52.862,
    "c": 32.410,
    "alpha": 90.00,
    "beta": 110.38,
    "gamma": 90.00
  },
  "wavelengths": [0.95400],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.4,1.457],
    "number_observations_unique": 44096,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 8.77
      },
      {
        "type": "Completeness",
        "value": 99
      },
      {
        "type": "Redundancy",
        "value": 3.26
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.509,1.457],
      "number_observations_unique": 6286,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.634
        }
      ]
    }
  ]

}
  

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


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