Data quality metrics extracted from 4irg.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": "bb7de72e1e56c123349e9c791ab5d9f3",
  "space_group_name": "P 65 2 2",
  "unit_cell": {
    "a": 44.699,
    "b": 44.699,
    "c": 175.112,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.43,1.70],
    "number_observations_unique": 11537,
    "quality_factors": [

    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.73,1.70],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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