Data quality metrics extracted from 7gee.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": "c04e6cf4724184445cd810af2f4c3291",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 114.044,
    "b": 53.522,
    "c": 44.346,
    "alpha": 90.00,
    "beta": 100.83,
    "gamma": 90.00
  },
  "wavelengths": [0.91261],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.29,1.29],
    "number_observations": 166842,
    "number_observations_unique": 56659,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.062
      },
      {
        "type": "R(meas)",
        "value": 0.075
      },
      {
        "type": "R(pim)",
        "value": 0.042
      },
      {
        "type": "I/SigI",
        "value": 11.3
      },
      {
        "type": "Completeness",
        "value": 86.0
      },
      {
        "type": "Redundancy",
        "value": 2.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.31,1.29],
      "number_observations": 2990,
      "number_observations_unique": 1391,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.914
        },
        {
          "type": "R(meas)",
          "value": 1.234
        },
        {
          "type": "R(pim)",
          "value": 0.819
        },
        {
          "type": "I/SigI",
          "value": 0.7
        },
        {
          "type": "Redundancy",
          "value": 2.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.066
        }
      ]
    }
  ]

}
  

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


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