Data quality metrics extracted from 2qxx.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": "6aa80a76352fc799a003509eefcb995e",
  "space_group_name": "R 3 2",
  "unit_cell": {
    "a": 82.64,
    "b": 82.64,
    "c": 82.64,
    "alpha": 70.75,
    "beta": 70.75,
    "gamma": 70.75
  },
  "wavelengths": [0.93100],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.6,2.000],
    "number_observations_unique": 22235,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.159
      },
      {
        "type": "I/SigI",
        "value": 15.010
      },
      {
        "type": "Completeness",
        "value": 98.100
      }
    ]
  }
}
  

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


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