Data quality metrics extracted from 4jat.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": "5cb25b5aef2431c29c53c6b1c5e1f14c",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 72.374,
    "b": 48.871,
    "c": 194.616,
    "alpha": 90.00,
    "beta": 97.95,
    "gamma": 90.00
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.650,2.420],
    "number_observations_unique": 47290,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 96
      }
    ]
  }
}
  

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


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