Data quality metrics extracted from 9u7e.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": "bb2a389fb4d5dff335c9cb08332e81cd",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 66.94,
    "b": 77.35,
    "c": 115.31,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [57.66,2.2],
    "number_observations_unique": 31042,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.3801
      },
      {
        "type": "I/SigI",
        "value": 6.17
      },
      {
        "type": "Completeness",
        "value": 99.36
      },
      {
        "type": "Redundancy",
        "value": 12.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.279,2.2],
      "number_observations_unique": 3054,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.49
        },
        {
          "type": "Completeness",
          "value": 99.09
        },
        {
          "type": "Redundancy",
          "value": 13.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.808
        }
      ]
    }
  ]

}
  

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


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