Data quality metrics extracted from 9g7k.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": "b53061e8a52d46468bac73f7021b5193",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 52.19,
    "b": 61.27,
    "c": 97.31,
    "alpha": 89.85,
    "beta": 83.89,
    "gamma": 67.19
  },
  "wavelengths": [0.97800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.8627402241,2.08687404886],
    "number_observations_unique": 61618,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.054
      },
      {
        "type": "I/SigI",
        "value": 9.10
      },
      {
        "type": "Completeness",
        "value": 93.8
      },
      {
        "type": "Redundancy",
        "value": 1.96
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.21,2.08687404886],
      "number_observations_unique": 9022,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.355
        },
        {
          "type": "Completeness",
          "value": 85.0
        },
        {
          "type": "Redundancy",
          "value": 1.91
        },
        {
          "type": "CC(1/2)",
          "value": 0.859
        }
      ]
    }
  ]

}
  

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


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