Data quality metrics extracted from 7kh9.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": "5318f8c61c22fa8b9ba2ef9733e104c0",
  "space_group_name": "P 2 21 21",
  "unit_cell": {
    "a": 44.69,
    "b": 104.75,
    "c": 125.07,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [26.9,2.29],
    "number_observations_unique": 53411,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0506
      },
      {
        "type": "I/SigI",
        "value": 10.73
      },
      {
        "type": "Completeness",
        "value": 99
      },
      {
        "type": "Redundancy",
        "value": 2
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.37,2.29],
      "number_observations_unique": 5218,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.252
        },
        {
          "type": "I/SigI",
          "value": 3.15
        },
        {
          "type": "Completeness",
          "value": 99
        },
        {
          "type": "Redundancy",
          "value": 2
        },
        {
          "type": "CC(1/2)",
          "value": 0.843
        }
      ]
    }
  ]

}
  

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


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