Data quality metrics extracted from 5swa.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": "ba5d59d29bcf3e180689160b35e08646",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 39.99,
    "b": 50.47,
    "c": 107.89,
    "alpha": 89.17,
    "beta": 89.02,
    "gamma": 88.90
  },
  "wavelengths": [1.04007],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [107.86,3.00],
    "number_observations_unique": 16399,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.137
      },
      {
        "type": "I/SigI",
        "value": 6.6
      },
      {
        "type": "Completeness",
        "value": 97.0
      },
      {
        "type": "Redundancy",
        "value": 2.2
      }
    ]
  }
}
  

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


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