Data quality metrics extracted from 4uiu.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": "db56f71e56a6e85748e9aad37ba9755d",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 24.548,
    "b": 33.942,
    "c": 39.465,
    "alpha": 70.39,
    "beta": 73.02,
    "gamma": 74.10
  },
  "wavelengths": [1.54178],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.26,1.64],
    "number_observations_unique": 26838,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.02
      },
      {
        "type": "I/SigI",
        "value": 41.40
      },
      {
        "type": "Completeness",
        "value": 91.0
      },
      {
        "type": "Redundancy",
        "value": 2.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.72,1.64],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.03
        },
        {
          "type": "I/SigI",
          "value": 24.80
        },
        {
          "type": "Completeness",
          "value": 84.3
        },
        {
          "type": "Redundancy",
          "value": 2.1
        }
      ]
    }
  ]

}
  

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


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