Data quality metrics extracted from 3aua.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": "cf6a9b70fb882856b6fd4ab1d4bb9c44",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 51.011,
    "b": 77.606,
    "c": 111.736,
    "alpha": 90.00,
    "beta": 90.63,
    "gamma": 90.00
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.15],
    "number_observations_unique": 46161,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 97.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.23,2.15],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 85.5
        }
      ]
    }
  ]

}
  

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


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