Data quality metrics extracted from 5ws5.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": "c87a58452fa8abb77deae1732eb45833",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 124.70,
    "b": 229.89,
    "c": 285.50,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.77000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.35],
    "number_observations_unique": 357086,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 10.5
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 978
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.4,2.35],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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