Data quality metrics extracted from 5tiq.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": "2f3697c937d91e51f6faac8fbd4e895f",
  "space_group_name": "P 41 3 2",
  "unit_cell": {
    "a": 188.763,
    "b": 188.763,
    "c": 188.763,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00690],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [84.42,2.54],
    "number_observations_unique": 38400,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09
      },
      {
        "type": "Completeness",
        "value": 99.4
      },
      {
        "type": "Redundancy",
        "value": 33.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.64,2.54],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.33
        }
      ]
    }
  ]

}
  

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


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