Data quality metrics extracted from 3h2k.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": "5904947cfb4084676c9828cb1befe01f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 98.34,
    "b": 64.92,
    "c": 65.96,
    "alpha": 90.00,
    "beta": 92.98,
    "gamma": 90.00
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.0,2.1],
    "number_observations_unique": 23753,
    "quality_factors": [

    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.18,2.10],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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