Data quality metrics extracted from 6ppq.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": "d2ff6aad937c96e33f5dbe0e79c25d6e",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 68.857,
    "b": 68.857,
    "c": 296.297,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97618],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [98.8,1.81],
    "number_observations_unique": 75844,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 15.4
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 31.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.88,1.81],
      "number_observations_unique": 4347,
      "quality_factors": [

      ]
    }
  ]

}
  

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


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