Data quality metrics extracted from 5it1.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": "0ee28bb9214c284804cfc5439a8f0bc3",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 123.023,
    "b": 122.941,
    "c": 193.287,
    "alpha": 90.000,
    "beta": 90.028,
    "gamma": 90.000
  },
  "wavelengths": [0.97934],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,2.10],
    "number_observations_unique": 165620,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 39.3
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 6.9
      }
    ]
  }
}
  

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


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