Data quality metrics extracted from 4ce8.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": "ea077d5edc135a1b60b3afb157be9d8a",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 52.48,
    "b": 72.49,
    "c": 54.61,
    "alpha": 90.0,
    "beta": 94.1,
    "gamma": 90.0
  },
  "wavelengths": [0.82660],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.55,0.90],
    "number_observations_unique": 291511,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08
      },
      {
        "type": "I/SigI",
        "value": 8.20
      },
      {
        "type": "Completeness",
        "value": 97.1
      },
      {
        "type": "Redundancy",
        "value": 3.0
      }
    ]
  }
}
  

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


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