Data quality metrics extracted from 4drv.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": "27f09ee78c0c632d945c8de7bb2140d7",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 43.72,
    "b": 35.22,
    "c": 43.99,
    "alpha": 90.00,
    "beta": 95.45,
    "gamma": 90.00
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [27.440,1.560],
    "number_observations_unique": 19362,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 99.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.64,1.56],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.1
        }
      ]
    }
  ]

}
  

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


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