Data quality metrics extracted from 9uee.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "17504e3559f206615a6d7c60d4153c54",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 86.628,
    "b": 108.928,
    "c": 148.009,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.38,2.5],
    "number_observations_unique": 48999,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1204
      },
      {
        "type": "I/SigI",
        "value": 16.55
      },
      {
        "type": "Completeness",
        "value": 98.97
      },
      {
        "type": "Redundancy",
        "value": 12.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.589,2.5],
      "number_observations_unique": 4870,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.98
        },
        {
          "type": "CC(1/2)",
          "value": 0.722
        }
      ]
    }
  ]

}
  

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


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