Data quality metrics extracted from 3u5m.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": "e6a9741dda967c1b226e5767556aa413",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 79.527,
    "b": 79.781,
    "c": 134.160,
    "alpha": 89.90,
    "beta": 89.96,
    "gamma": 59.97
  },
  "wavelengths": [1.28215],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [27.36,3.08],
    "number_observations_unique": 50478,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.071
      },
      {
        "type": "I/SigI",
        "value": 30.2
      },
      {
        "type": "Completeness",
        "value": 96.8
      },
      {
        "type": "Redundancy",
        "value": 5.8
      }
    ]
  }
}
  

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


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