Data quality metrics extracted from 3ksk.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": "de95c08dfd9866959156701d4a12ee4f",
  "space_group_name": "P 42",
  "unit_cell": {
    "a": 101.921,
    "b": 101.921,
    "c": 100.284,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.81280],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [102.060,2.35],
    "number_observations_unique": 42525,
    "quality_factors": [

    ]
  }
}
  

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


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