Data quality metrics extracted from 9i3q.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": "83542f1fb50b6315292d8575385b9fcc",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 36.717,
    "b": 39.605,
    "c": 48.520,
    "alpha": 91.96,
    "beta": 99.92,
    "gamma": 114.71
  },
  "wavelengths": [0.95373],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.46,1.597],
    "number_observations_unique": 13312,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 3.6
      },
      {
        "type": "Completeness",
        "value": 79.9
      },
      {
        "type": "Redundancy",
        "value": 2.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.989
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.887,1.597],
      "number_observations_unique": 666,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.819
        }
      ]
    }
  ]

}
  

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


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