Data quality metrics extracted from 5jan.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": "510455533f66feff0449f31ea31a0c54",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 100.373,
    "b": 92.080,
    "c": 48.273,
    "alpha": 90.0,
    "beta": 112.6,
    "gamma": 90.0
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.33,2.12],
    "number_observations_unique": 21778,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 7.5
      },
      {
        "type": "Completeness",
        "value": 99.2
      },
      {
        "type": "Redundancy",
        "value": 3.6
      }
    ]
  }
}
  

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


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