Data quality metrics extracted from 3jry.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": "23b72da27d7145c80ab491c7a43bff74",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 55.600,
    "b": 55.787,
    "c": 121.344,
    "alpha": 80.48,
    "beta": 90.75,
    "gamma": 63.48
  },
  "wavelengths": [0.91500],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [120,2.3],
    "number_observations_unique": 51888,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.041
      },
      {
        "type": "I/SigI",
        "value": 13.46
      },
      {
        "type": "Completeness",
        "value": 91.1
      },
      {
        "type": "Redundancy",
        "value": 1.86
      }
    ]
  }
}
  

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


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