Data quality metrics extracted from 9qnx.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": "cd4584c3f54a35e07b9a1699a35c658b",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 74.995,
    "b": 65.248,
    "c": 77.164,
    "alpha": 90.00,
    "beta": 91.63,
    "gamma": 90.00
  },
  "wavelengths": [0.98970],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.82,2.11],
    "number_observations_unique": 77372,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 4.14
      },
      {
        "type": "Completeness",
        "value": 95.93
      },
      {
        "type": "Redundancy",
        "value": 3.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.928
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.18,2.11],
      "number_observations_unique": 3978,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.490
        }
      ]
    }
  ]

}
  

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


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