Data quality metrics extracted from 3aqo.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": "86efdee1f8428dfc67f57b41a9cb55f4",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 161.041,
    "b": 35.829,
    "c": 181.548,
    "alpha": 90.00,
    "beta": 113.68,
    "gamma": 90.00
  },
  "wavelengths": [0.97942,0.97923,0.97931,0.98319,0.96408],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,2.600],
    "number_observations_unique": 24792,
    "quality_factors": [

    ]
  }
}
  

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


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