Data quality metrics extracted from 3aet.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": "752ddae6e897ee9194e3d84d8f7b719b",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 80.442,
    "b": 81.440,
    "c": 95.864,
    "alpha": 102.53,
    "beta": 110.89,
    "gamma": 94.44
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,2.900],
    "number_observations_unique": 42863,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09300
      }
    ]
  }
}
  

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


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