Data quality metrics extracted from 6sau.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": "9b688362e72b743c60c0eb696eeceaa2",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 56.877,
    "b": 61.966,
    "c": 70.395,
    "alpha": 79.33,
    "beta": 82.88,
    "gamma": 67.99
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.2,1.35],
    "number_observations_unique": 163777,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 12.8
      },
      {
        "type": "Completeness",
        "value": 85.3
      },
      {
        "type": "Redundancy",
        "value": 2.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.37,1.35],
      "number_observations_unique": 3628,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 38.2
        }
      ]
    }
  ]

}
  

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


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