Data quality metrics extracted from 9cc6.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": "bdd0c34f0dbfe84a4fbaaa9b1de13669",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 38.426,
    "b": 42.382,
    "c": 40.633,
    "alpha": 90.00,
    "beta": 105.53,
    "gamma": 90.00
  },
  "wavelengths": [0.96862],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.02,2.40],
    "number_observations_unique": 4698,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.033
      },
      {
        "type": "R(pim)",
        "value": 0.623
      },
      {
        "type": "I/SigI",
        "value": 11.0
      },
      {
        "type": "Completeness",
        "value": 93.38
      },
      {
        "type": "Redundancy",
        "value": 5.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.48,2.4],
      "number_observations_unique": 410,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.623
        },
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "Completeness",
          "value": 92
        },
        {
          "type": "Redundancy",
          "value": 5
        },
        {
          "type": "CC(1/2)",
          "value": 0.965
        }
      ]
    }
  ]

}
  

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


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