Data quality metrics extracted from 7gdg.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": "2b87a8def9c6952fd16c12f4d00e074a",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 113.844,
    "b": 53.482,
    "c": 44.571,
    "alpha": 90.0,
    "beta": 101.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91258],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.89,1.81],
    "number_observations": 77531,
    "number_observations_unique": 24023,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.152
      },
      {
        "type": "R(meas)",
        "value": 0.183
      },
      {
        "type": "R(pim)",
        "value": 0.100
      },
      {
        "type": "I/SigI",
        "value": 5.9
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 3.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.989
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.85,1.81],
      "number_observations": 4617,
      "number_observations_unique": 1423,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.202
        },
        {
          "type": "R(meas)",
          "value": 1.444
        },
        {
          "type": "R(pim)",
          "value": 0.791
        },
        {
          "type": "I/SigI",
          "value": 0.7
        },
        {
          "type": "Redundancy",
          "value": 3.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.400
        }
      ]
    }
  ]

}
  

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


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