Data quality metrics extracted from 3adf.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": "d76f39a421d9d1f6170261a13e00e52f",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 41.78,
    "b": 51.72,
    "c": 52.89,
    "alpha": 90.96,
    "beta": 103.41,
    "gamma": 101.79
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.0,2.2],
    "number_observations_unique": 20674,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.056
      },
      {
        "type": "Completeness",
        "value": 96.9
      }
    ]
  }
}
  

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


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