Data quality metrics extracted from 3bch.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": "73bc4067577c9bbab49b21a2bbc33983",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 75.688,
    "b": 75.688,
    "c": 99.007,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,2.15],
    "number_observations_unique": 18989,
    "quality_factors": [

    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.15,2.15],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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