Data quality metrics extracted from 5nr4.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": "77a8487ad06152c71e281da2d34a64df",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 66.083,
    "b": 47.116,
    "c": 74.152,
    "alpha": 90.00,
    "beta": 115.83,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.5,1.19],
    "number_observations_unique": 128081,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 13.42
      },
      {
        "type": "Completeness",
        "value": 99
      },
      {
        "type": "Redundancy",
        "value": 6.2
      }
    ]
  }
}
  

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


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