Data quality metrics extracted from 4bww.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": "6ef17a9d0c75305f93c1f18a164a7fd1",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 36.95,
    "b": 53.66,
    "c": 73.21,
    "alpha": 74.40,
    "beta": 89.33,
    "gamma": 83.41
  },
  "wavelengths": [0.91841],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [51.30,1.50],
    "number_observations_unique": 82307,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07
      },
      {
        "type": "I/SigI",
        "value": 5.50
      },
      {
        "type": "Completeness",
        "value": 91.8
      },
      {
        "type": "Redundancy",
        "value": 1.9
      }
    ]
  }
}
  

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


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