Data quality metrics extracted from 5ufd.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": "2ae08a145dc1111d676fb33a0018f312",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 43.339,
    "b": 78.895,
    "c": 158.804,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.03316],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.9570,1.6960],
    "number_observations_unique": 60711,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.02
      },
      {
        "type": "I/SigI",
        "value": 23.6
      },
      {
        "type": "Completeness",
        "value": 99
      },
      {
        "type": "Redundancy",
        "value": 11.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.76,1.6960],
      "number_observations": 29524,
      "number_observations_unique": 5444,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.16
        }
      ]
    }
  ]

}
  

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


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