Data quality metrics extracted from 1sot.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": "b3cafdfa8d971b01db91a42c81b548ce",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 207.681,
    "b": 143.062,
    "c": 41.529,
    "alpha": 90.00,
    "beta": 90.07,
    "gamma": 90.00
  },
  "wavelengths": [0.93930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [15,2.3],
    "number_observations_unique": 51588,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.049
      },
      {
        "type": "I/SigI",
        "value": 24.1
      },
      {
        "type": "Completeness",
        "value": 96.5
      }
    ]
  }
}
  

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


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