Data quality metrics extracted from 4riq.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": "e3804a097fa70aa25ac74cdf5b56c2ed",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 56.27,
    "b": 56.27,
    "c": 95.09,
    "alpha": 90.08,
    "beta": 89.90,
    "gamma": 115.39
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.79,2.231],
    "number_observations_unique": 47679,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 95
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.33,2.231],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 93.5
        }
      ]
    }
  ]

}
  

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


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