Data quality metrics extracted from 7ggu.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": "00d07a67d32d84f5d30252aab0d0e42f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 112.76,
    "b": 52.88,
    "c": 44.85,
    "alpha": 90.00,
    "beta": 102.46,
    "gamma": 90.00
  },
  "wavelengths": [0.91267],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.67,2.29],
    "number_observations": 38321,
    "number_observations_unique": 11718,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.141
      },
      {
        "type": "R(meas)",
        "value": 0.169
      },
      {
        "type": "R(pim)",
        "value": 0.092
      },
      {
        "type": "I/SigI",
        "value": 6.9
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.35,2.29],
      "number_observations": 2869,
      "number_observations_unique": 856,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.838
        },
        {
          "type": "R(meas)",
          "value": 2.193
        },
        {
          "type": "R(pim)",
          "value": 1.185
        },
        {
          "type": "I/SigI",
          "value": 0.8
        },
        {
          "type": "Redundancy",
          "value": 3.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.323
        }
      ]
    }
  ]

}
  

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


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