Data quality metrics extracted from 9qu1.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": "9a2b7c21375d03dbdad94aacfe6f0e2f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 163.564,
    "b": 63.430,
    "c": 104.163,
    "alpha": 90.000,
    "beta": 91.263,
    "gamma": 90.000
  },
  "wavelengths": [0.68879],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [104.138,2.716],
    "number_observations_unique": 21842,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.114
      },
      {
        "type": "R(meas)",
        "value": 0.125
      },
      {
        "type": "R(pim)",
        "value": 0.052
      },
      {
        "type": "I/SigI",
        "value": 10.2
      },
      {
        "type": "Completeness",
        "value": 91.5
      },
      {
        "type": "Redundancy",
        "value": 5.56
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  }
}
  

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


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