Data quality metrics extracted from 1r3e.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": "851d5d968258594490d9cd9d75014304",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 98.862,
    "b": 159.337,
    "c": 44.545,
    "alpha": 90.00,
    "beta": 97.77,
    "gamma": 90.00
  },
  "wavelengths": [0.97300,0.97960,0.98000,1.12710],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [15,2.1],
    "number_observations_unique": 38642,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.076
      },
      {
        "type": "I/SigI",
        "value": 15
      },
      {
        "type": "Completeness",
        "value": 98.4
      }
    ]
  }
}
  

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


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