Data quality metrics extracted from 8uiq.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": "1e9b0cf930d95aeeda26c67631bbf709",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 47.376,
    "b": 69.244,
    "c": 115.270,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97918,1.77120],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [59.36,2.17],
    "number_observations_unique": 20480,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1964
      },
      {
        "type": "I/SigI",
        "value": 7.66
      },
      {
        "type": "Completeness",
        "value": 98.56
      },
      {
        "type": "Redundancy",
        "value": 6.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.248,2.17],
      "number_observations_unique": 1991,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.01
        },
        {
          "type": "CC(1/2)",
          "value": 0.724
        }
      ]
    },
    {
      "resolution_limits": [2.518,2.431],
      "number_observations_unique": 1199,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.917
        }
      ]
    }
  ]

}
  

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


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