Data quality metrics extracted from 3dwp.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": "fd97976180c0f09b9d5435d35b55def7",
  "space_group_name": "P 65",
  "unit_cell": {
    "a": 96.900,
    "b": 96.900,
    "c": 165.622,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [83.92,2.2],
    "number_observations_unique": 39693,
    "quality_factors": [

    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.32,2.2],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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