Data quality metrics extracted from 4tr6.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": "5a9294523c4d24ef8bb47ab68529f16b",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 43.22,
    "b": 68.33,
    "c": 85.31,
    "alpha": 65.77,
    "beta": 82.84,
    "gamma": 86.79
  },
  "wavelengths": [1.00153],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.8,1.5],
    "number_observations_unique": 135911,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 16.36
      },
      {
        "type": "Completeness",
        "value": 95.9
      },
      {
        "type": "Redundancy",
        "value": 4.8
      }
    ]
  }
}
  

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


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