Data quality metrics extracted from 4kjq.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": "43f01e17fb13e53df3eea5131ffb3b2b",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 231.312,
    "b": 100.150,
    "c": 169.969,
    "alpha": 90.00,
    "beta": 132.02,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.000,2.810],
    "number_observations_unique": 70131,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 100.0
      }
    ]
  }
}
  

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


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