Data quality metrics extracted from 4we4.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": "797db05e1262f2fecc9cd53c7315b85f",
  "space_group_name": "I 21 3",
  "unit_cell": {
    "a": 155.506,
    "b": 155.506,
    "c": 155.506,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.35],
    "number_observations_unique": 25624,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 40
      },
      {
        "type": "Completeness",
        "value": 98.1
      },
      {
        "type": "Redundancy",
        "value": 10.8
      }
    ]
  }
}
  

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


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