Data quality metrics extracted from 2r5i.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": "8476b283e784c37db0d8c4ab36af5ed0",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 81.161,
    "b": 105.039,
    "c": 235.749,
    "alpha": 87.56,
    "beta": 85.66,
    "gamma": 68.16
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,3.4],
    "number_observations_unique": 98881,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 19.6
      },
      {
        "type": "I/SigI",
        "value": 4.4
      },
      {
        "type": "Redundancy",
        "value": 3.55
      }
    ]
  }
}
  

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


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