Data quality metrics extracted from 4k39.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": "58c2109b24bf20e00968f9b815f700b7",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 44.031,
    "b": 91.915,
    "c": 91.004,
    "alpha": 90.0,
    "beta": 91.1,
    "gamma": 90.0
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.78],
    "number_observations_unique": 69024,
    "quality_factors": [

    ]
  }
}
  

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


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