Data quality metrics extracted from 3rwd.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": "cd5eee13b30b67fcfe20ece593cf9036",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 45.219,
    "b": 69.025,
    "c": 81.001,
    "alpha": 96.45,
    "beta": 88.79,
    "gamma": 89.94
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.6],
    "number_observations_unique": 28767,
    "quality_factors": [

    ]
  }
}
  

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


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