Data quality metrics extracted from 1k3r.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": "5dac9f3ba86ac266229eebb03a899eb7",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 101.307,
    "b": 51.353,
    "c": 109.250,
    "alpha": 90.00,
    "beta": 94.69,
    "gamma": 90.00
  },
  "wavelengths": [0.97918,0.97931,1.03320],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [100,2.3],
    "number_observations_unique": 25125,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 99.4
      }
    ]
  }
}
  

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


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