Data quality metrics extracted from 9qe9.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": "fa7eb116b5d7b6004647354a8a60cb86",
  "space_group_name": "C 2 2 2",
  "unit_cell": {
    "a": 71.166,
    "b": 153.523,
    "c": 71.216,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.67020],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.9,3.0],
    "number_observations_unique": 7385,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.364
      },
      {
        "type": "R(meas)",
        "value": 0.411
      },
      {
        "type": "R(pim)",
        "value": 0.189
      },
      {
        "type": "I/SigI",
        "value": 7.8
      },
      {
        "type": "Completeness",
        "value": 91.1
      },
      {
        "type": "Redundancy",
        "value": 8.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.932
      }
    ]
  }
}
  

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


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