Data quality metrics extracted from 3tzq.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": "808229ef598336b6484d4eab0c0dc397",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 69.67,
    "b": 122.07,
    "c": 125.29,
    "alpha": 90.00,
    "beta": 101.03,
    "gamma": 90.00
  },
  "wavelengths": [0.97740],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.920,2.500],
    "number_observations_unique": 69690,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.119
      },
      {
        "type": "I/SigI",
        "value": 8.960
      },
      {
        "type": "Completeness",
        "value": 97.9
      },
      {
        "type": "Redundancy",
        "value": 2.632
      }
    ]
  }
}
  

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


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