Data quality metrics extracted from 3luk.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": "1c1afa68c493b27fa9feb2be0863e3ac",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 40.800,
    "b": 47.851,
    "c": 66.846,
    "alpha": 85.90,
    "beta": 72.84,
    "gamma": 82.86
  },
  "wavelengths": [0.97850],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [31.914,1.7],
    "number_observations_unique": 46880,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 100
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.76,1.7],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 58.9
        }
      ]
    }
  ]

}
  

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


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