Data quality metrics extracted from 7gg9.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": "e41b4da4f92b2f4e73ef1d95dbf8c637",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 112.750,
    "b": 52.888,
    "c": 44.421,
    "alpha": 90.00,
    "beta": 102.87,
    "gamma": 90.00
  },
  "wavelengths": [0.91262],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.04,1.54],
    "number_observations": 116566,
    "number_observations_unique": 37603,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.128
      },
      {
        "type": "R(meas)",
        "value": 0.156
      },
      {
        "type": "R(pim)",
        "value": 0.087
      },
      {
        "type": "I/SigI",
        "value": 7.0
      },
      {
        "type": "Completeness",
        "value": 99.4
      },
      {
        "type": "Redundancy",
        "value": 3.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.991
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.57,1.54],
      "number_observations": 4917,
      "number_observations_unique": 1812,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.357
        },
        {
          "type": "R(meas)",
          "value": 1.692
        },
        {
          "type": "R(pim)",
          "value": 0.997
        },
        {
          "type": "I/SigI",
          "value": 0.6
        },
        {
          "type": "Redundancy",
          "value": 2.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.318
        }
      ]
    }
  ]

}
  

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


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