Data quality metrics extracted from 4k2u.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": "0571e4ee7212db130cb2efe2f01e8f88",
  "space_group_name": "P 1 2 1",
  "unit_cell": {
    "a": 101.95,
    "b": 53.53,
    "c": 156.79,
    "alpha": 90.00,
    "beta": 91.18,
    "gamma": 90.00
  },
  "wavelengths": [0.97912],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.793,2.4],
    "number_observations_unique": 66216,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 98.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.49,2.4],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 95.1
        }
      ]
    }
  ]

}
  

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


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