Data quality metrics extracted from 1pkz.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": "c2ee42ea5ff1e4fac5702311bdd1387c",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 99.000,
    "b": 89.888,
    "c": 51.082,
    "alpha": 90.00,
    "beta": 93.28,
    "gamma": 90.00
  },
  "wavelengths": [0.98310],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.0,2.1],
    "number_observations_unique": 25470,
    "quality_factors": [

    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.18,2.1],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.9
        }
      ]
    }
  ]

}
  

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


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