Data quality metrics extracted from 9qe8.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": "82146187608044004334d92141378f7c",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 42.126,
    "b": 147.899,
    "c": 148.856,
    "alpha": 119.933,
    "beta": 94.326,
    "gamma": 89.308
  },
  "wavelengths": [0.96770],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [74.22,3.04],
    "number_observations_unique": 28065,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.125
      },
      {
        "type": "I/SigI",
        "value": 2.7
      },
      {
        "type": "Completeness",
        "value": 79.0
      },
      {
        "type": "Redundancy",
        "value": 2.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.843
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.590,3.041],
      "number_observations_unique": 1391,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.826
        }
      ]
    }
  ]

}
  

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


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