Data quality metrics extracted from 1fuu.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": "b14373640fa5a3728f1bfd0dfa359118",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 38.8,
    "b": 71.2,
    "c": 73.2,
    "alpha": 94.0,
    "beta": 89.6,
    "gamma": 101.0
  },
  "wavelengths": [0.92000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40,2.5],
    "number_observations_unique": 16117,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0790000
      },
      {
        "type": "Redundancy",
        "value": 2.99
      }
    ]
  }
}
  

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


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