Data quality metrics extracted from 7ggc.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": "5cae059103e4d235a3378fc49b4a4fe4",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 112.400,
    "b": 53.309,
    "c": 46.060,
    "alpha": 90.00,
    "beta": 100.64,
    "gamma": 90.00
  },
  "wavelengths": [0.91262],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.01,1.94],
    "number_observations": 65315,
    "number_observations_unique": 19190,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.144
      },
      {
        "type": "R(meas)",
        "value": 0.171
      },
      {
        "type": "R(pim)",
        "value": 0.092
      },
      {
        "type": "I/SigI",
        "value": 5.6
      },
      {
        "type": "Completeness",
        "value": 95.6
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.04,1.94],
      "number_observations": 10039,
      "number_observations_unique": 2885,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.250
        },
        {
          "type": "R(meas)",
          "value": 1.480
        },
        {
          "type": "R(pim)",
          "value": 0.785
        },
        {
          "type": "I/SigI",
          "value": 1.0
        },
        {
          "type": "Redundancy",
          "value": 3.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.415
        }
      ]
    }
  ]

}
  

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


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