Data quality metrics extracted from 9e9i.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": "cd7a6f93b95697e78e81a9aee65995a9",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.386,
    "b": 39.854,
    "c": 52.718,
    "alpha": 90.00,
    "beta": 100.38,
    "gamma": 90.00
  },
  "wavelengths": [1.00003],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.18],
    "number_observations_unique": 111983,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.056
      },
      {
        "type": "I/SigI",
        "value": 10.24
      },
      {
        "type": "Completeness",
        "value": 93.9
      },
      {
        "type": "Redundancy",
        "value": 2.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.25,1.18],
      "number_observations_unique": 15244,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.208
        },
        {
          "type": "I/SigI",
          "value": 2.85
        },
        {
          "type": "Completeness",
          "value": 79.1
        },
        {
          "type": "Redundancy",
          "value": 2.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.925
        }
      ]
    }
  ]

}
  

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


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