Data quality metrics extracted from 4njc.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": "b51411124d2760d6e19e820a9492fa88",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 35.65,
    "b": 82.78,
    "c": 83.43,
    "alpha": 90.00,
    "beta": 92.76,
    "gamma": 90.00
  },
  "wavelengths": [1.54179,0.97941,0.95369],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.33,2.3],
    "number_observations_unique": 21483,
    "quality_factors": [

    ]
  }
}
  

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


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