Data quality metrics extracted from 9gc8.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": "099aafe5ef0a48c6c93bd90a460f027a",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 92.15,
    "b": 75.63,
    "c": 37.63,
    "alpha": 90.000,
    "beta": 104.042,
    "gamma": 90.000
  },
  "wavelengths": [0.97926],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.7,1.95],
    "number_observations_unique": 18291,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05056
      },
      {
        "type": "R(meas)",
        "value": 0.06069
      },
      {
        "type": "R(pim)",
        "value": 0.03319
      },
      {
        "type": "I/SigI",
        "value": 9.48
      },
      {
        "type": "Completeness",
        "value": 98.74
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.07,1.95],
      "number_observations_unique": 3036,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.9629
        },
        {
          "type": "R(pim)",
          "value": 0.6134
        },
        {
          "type": "Completeness",
          "value": 98.57
        },
        {
          "type": "Redundancy",
          "value": 1.28
        },
        {
          "type": "CC(1/2)",
          "value": 0.707
        }
      ]
    }
  ]

}
  

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


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