Data quality metrics extracted from 9tfu.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "910f3579a6533c75f980bc7105c81f0f",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 44.986,
    "b": 47.146,
    "c": 150.913,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.95373],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [75.456,1.996],
    "number_observations_unique": 16038,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 6.0
      },
      {
        "type": "Completeness",
        "value": 90.2
      },
      {
        "type": "Redundancy",
        "value": 7.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.784
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.17,1.996],
      "number_observations_unique": 802,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.661
        }
      ]
    }
  ]

}
  

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


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