Data quality metrics extracted from 4iem.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": "94fb0ab93819b68dc3e5dae743e1fd03",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 104.639,
    "b": 74.090,
    "c": 112.138,
    "alpha": 90.00,
    "beta": 111.98,
    "gamma": 90.00
  },
  "wavelengths": [0.97956],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30,2.3926],
    "number_observations_unique": 56727,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 90.05
      }
    ]
  }
}
  

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


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