Data quality metrics extracted from 3sh9.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": "549b1dd88d51d865c964fec20552868a",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 43.386,
    "b": 91.626,
    "c": 66.008,
    "alpha": 90.0,
    "beta": 104.5,
    "gamma": 90.0
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.8,1.9],
    "number_observations_unique": 39490,
    "quality_factors": [

    ]
  }
}
  

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


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