Data quality metrics extracted from 1wup.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": "4d8b2b47c4bde0720e869c958a709574",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 49.213,
    "b": 73.061,
    "c": 80.890,
    "alpha": 84.81,
    "beta": 76.10,
    "gamma": 74.00
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [99.0,2.97],
    "number_observations_unique": 19685,
    "quality_factors": [

    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.08,2.97],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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