Data quality metrics extracted from 3w6w.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": "a19681a7fcf48d0b7e755a356e9e193f",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 52.313,
    "b": 118.086,
    "c": 84.207,
    "alpha": 90.0,
    "beta": 97.4,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,1.38],
    "number_observations_unique": 198757,
    "quality_factors": [

    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.42,1.40],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 96.7
        }
      ]
    }
  ]

}
  

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


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