Data quality metrics extracted from 3itn.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": "58df488efb1fba66d2c4039bf628c802",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 69.224,
    "b": 84.607,
    "c": 96.171,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.79,1.63],
    "number_observations_unique": 32677,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.520
      },
      {
        "type": "Completeness",
        "value": 91.79
      },
      {
        "type": "Redundancy",
        "value": 5.45
      }
    ]
  }
}
  

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


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