Data quality metrics extracted from 3tyf.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": "b5f2b2600ad4b5a4c930870bc6b6dfe3",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 64.602,
    "b": 65.755,
    "c": 66.993,
    "alpha": 103.89,
    "beta": 106.32,
    "gamma": 100.84
  },
  "wavelengths": [1.03322],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.019,2.8],
    "number_observations_unique": 22562,
    "quality_factors": [

    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.9338,2.8],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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