Data quality metrics extracted from 9x6u.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": "b119964817a742b563745a15b8f96931",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 75.055,
    "b": 81.029,
    "c": 225.574,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97090],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [112.787,2.0079],
    "number_observations_unique": 72285,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.193
      },
      {
        "type": "R(pim)",
        "value": 0.059
      },
      {
        "type": "I/SigI",
        "value": 9.7
      },
      {
        "type": "Completeness",
        "value": 94.3
      },
      {
        "type": "Redundancy",
        "value": 11.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  }
}
  

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


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