Data quality metrics extracted from 8wte.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": "ce401dfd895f0332ea36ac13d11b16cd",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 45.600,
    "b": 96.142,
    "c": 117.789,
    "alpha": 80.826,
    "beta": 82.145,
    "gamma": 78.590
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [115.59,2.17],
    "number_observations_unique": 98037,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.072
      },
      {
        "type": "R(meas)",
        "value": 0.089
      },
      {
        "type": "R(pim)",
        "value": 0.052
      },
      {
        "type": "I/SigI",
        "value": 5.3
      },
      {
        "type": "Completeness",
        "value": 96
      },
      {
        "type": "Redundancy",
        "value": 2.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.990
      }
    ]
  }
}
  

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


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