Data quality metrics extracted from 7ggy.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": "2d0c4451030cf7a24767bb8009922db6",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 113.86,
    "b": 53.31,
    "c": 44.65,
    "alpha": 90.0,
    "beta": 101.6,
    "gamma": 90.0
  },
  "wavelengths": [0.91267],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.10,2.17],
    "number_observations": 46883,
    "number_observations_unique": 13980,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.209
      },
      {
        "type": "R(meas)",
        "value": 0.249
      },
      {
        "type": "R(pim)",
        "value": 0.134
      },
      {
        "type": "I/SigI",
        "value": 4.8
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.984
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.23,2.17],
      "number_observations": 3601,
      "number_observations_unique": 1043,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.625
        },
        {
          "type": "R(meas)",
          "value": 1.927
        },
        {
          "type": "R(pim)",
          "value": 1.026
        },
        {
          "type": "I/SigI",
          "value": 0.9
        },
        {
          "type": "Redundancy",
          "value": 3.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.301
        }
      ]
    }
  ]

}
  

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


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