Data quality metrics extracted from 5t9f.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": "9eab5ae9c5ac54a20d2ef1220821908b",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 46.445,
    "b": 55.046,
    "c": 68.387,
    "alpha": 107.82,
    "beta": 99.56,
    "gamma": 102.58
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.85,1.994],
    "number_observations_unique": 36694,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 10.19
      },
      {
        "type": "Completeness",
        "value": 88.9
      },
      {
        "type": "Redundancy",
        "value": 1.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.048,1.994],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 85.3
        }
      ]
    }
  ]

}
  

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


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