Data quality metrics extracted from 3cxr.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": "c46ecbe8e005b198c51002350afca638",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 71.147,
    "b": 75.378,
    "c": 97.674,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [59.66,1.9],
    "number_observations_unique": 19757,
    "quality_factors": [

    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [30.56,1.9],
      "number_observations_unique": 19757,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 4.2
        }
      ]
    }
  ]

}
  

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


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