Data quality metrics extracted from 1sul.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": "5fd45bf7361979c99972264ef7331ddd",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 145.670,
    "b": 36.520,
    "c": 83.253,
    "alpha": 90.00,
    "beta": 122.16,
    "gamma": 90.00
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [10,2.0],
    "number_observations_unique": 24474,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.091
      },
      {
        "type": "I/SigI",
        "value": 9.9
      },
      {
        "type": "Redundancy",
        "value": 2.4
      }
    ]
  }
}
  

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


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