Data quality metrics extracted from 3w68.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": "79c5fde1f673e4a0de98f061c5e2f120",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 57.977,
    "b": 69.620,
    "c": 87.097,
    "alpha": 100.88,
    "beta": 109.45,
    "gamma": 100.01
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30,2.05],
    "number_observations_unique": 75088,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.065
      }
    ]
  }
}
  

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


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