Data quality metrics extracted from 6s75.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": "a61ac447376f6847675c7458c4b4cd07",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 50.405,
    "b": 168.971,
    "c": 84.565,
    "alpha": 90.000,
    "beta": 90.029,
    "gamma": 90.000
  },
  "wavelengths": [0.96861],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [75.62,3.3],
    "number_observations_unique": 21271,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.078
      },
      {
        "type": "I/SigI",
        "value": 15.28
      },
      {
        "type": "Completeness",
        "value": 96.45
      },
      {
        "type": "Redundancy",
        "value": 6.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.42,3.3],
      "number_observations_unique": 1700,
      "quality_factors": [

      ]
    }
  ]

}
  

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


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