Data quality metrics extracted from 4enc.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": "2931b9af85851a852fa7b66ca27fe1e2",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 57.010,
    "b": 75.223,
    "c": 42.905,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.272],
    "number_observations_unique": 8726,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.073
      },
      {
        "type": "I/SigI",
        "value": 31
      },
      {
        "type": "Redundancy",
        "value": 6.9
      }
    ]
  }
}
  

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


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