Data quality metrics extracted from 3hq9.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": "64ffa15707c8737f85ea2b4afec4119e",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 50.899,
    "b": 55.473,
    "c": 68.606,
    "alpha": 104.71,
    "beta": 99.39,
    "gamma": 108.97
  },
  "wavelengths": [1.05000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [90.0,1.52],
    "number_observations_unique": 86506,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.053
      },
      {
        "type": "I/SigI",
        "value": 18.0
      },
      {
        "type": "Completeness",
        "value": 90.1
      },
      {
        "type": "Redundancy",
        "value": 1.9
      }
    ]
  }
}
  

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


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