Data quality metrics extracted from 3w3e.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": "f3f3b9b3a164868b08472417789deccf",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 40.7,
    "b": 48.6,
    "c": 65.2,
    "alpha": 97.7,
    "beta": 100.4,
    "gamma": 106.3
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.90,1.5],
    "number_observations_unique": 76333,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.062
      },
      {
        "type": "Completeness",
        "value": 92.1
      }
    ]
  }
}
  

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


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