Data quality metrics extracted from 4b4a.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": "5c84ca8ab6550365c5a29d0b3f7afc02",
  "space_group_name": "H 3 2",
  "unit_cell": {
    "a": 123.52,
    "b": 123.52,
    "c": 216.41,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.92000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [15.00,3.50],
    "number_observations_unique": 7820,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03
      },
      {
        "type": "I/SigI",
        "value": 13.90
      },
      {
        "type": "Completeness",
        "value": 96.8
      },
      {
        "type": "Redundancy",
        "value": 3.3
      }
    ]
  }
}
  

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


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