Data quality metrics extracted from 1pkw.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": "dce33adabd41b6bd038a9755d943c107",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 99.204,
    "b": 90.498,
    "c": 51.334,
    "alpha": 90.00,
    "beta": 93.37,
    "gamma": 90.00
  },
  "wavelengths": [1.02916],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.00,2.0],
    "number_observations_unique": 30211,
    "quality_factors": [

    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.07,2.0],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 91.1
        }
      ]
    }
  ]

}
  

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


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