Data quality metrics extracted from 5xtw.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": "1fdfc68cdf0495fc08879339c3ea2ba5",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 43.819,
    "b": 164.768,
    "c": 164.596,
    "alpha": 91.11,
    "beta": 97.56,
    "gamma": 97.50
  },
  "wavelengths": [0.98700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [27.942,3.2],
    "number_observations_unique": 72181,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.141
      },
      {
        "type": "I/SigI",
        "value": 7.8
      },
      {
        "type": "Completeness",
        "value": 96.1
      },
      {
        "type": "Redundancy",
        "value": 3.6
      }
    ]
  }
}
  

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


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