Data quality metrics extracted from 3b1s.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": "fa7221efe961c3dbfdedb6ceb7e18f92",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 114.60,
    "b": 33.75,
    "c": 122.37,
    "alpha": 90.00,
    "beta": 107.78,
    "gamma": 90.00
  },
  "wavelengths": [0.90000,0.97910,0.97936,0.99508,0.96413],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.76,2.55],
    "number_observations_unique": 14910,
    "quality_factors": [

    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.69,2.55],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    }
  ]

}
  

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


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