Data quality metrics extracted from 6duh.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": "ee1f4c424efeb965235d1d87c3ce936d",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 162.895,
    "b": 73.229,
    "c": 109.383,
    "alpha": 90.0,
    "beta": 100.3,
    "gamma": 90.0
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [107.619,2.003],
    "number_observations_unique": 84642,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03285
      },
      {
        "type": "R(meas)",
        "value": 0.03896
      },
      {
        "type": "R(pim)",
        "value": 0.02074
      },
      {
        "type": "I/SigI",
        "value": 17.01
      },
      {
        "type": "Completeness",
        "value": 99.08
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  }
}
  

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


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