Data quality metrics extracted from 6d36.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": "bd1483afadb80a983bdd691d695b41e7",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 44.918,
    "b": 72.330,
    "c": 115.945,
    "alpha": 83.06,
    "beta": 85.74,
    "gamma": 72.04
  },
  "wavelengths": [0.97000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.451,1.7],
    "number_observations_unique": 146249,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 21.9
      },
      {
        "type": "Completeness",
        "value": 96.6
      },
      {
        "type": "Redundancy",
        "value": 3.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.7193,1.7],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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