Data quality metrics extracted from 1gg5.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": "5af38ada51633918a32019fff85c962f",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 56.733,
    "b": 55.454,
    "c": 97.205,
    "alpha": 76.42,
    "beta": 77.22,
    "gamma": 86.45
  },
  "wavelengths": [1.10000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.440,2.2],
    "number_observations_unique": 46509,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0840000
      },
      {
        "type": "I/SigI",
        "value": 4.79
      },
      {
        "type": "Completeness",
        "value": 81.7
      },
      {
        "type": "Redundancy",
        "value": 1.68
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.28,2.2],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1690000
        },
        {
          "type": "I/SigI",
          "value": 1.4
        },
        {
          "type": "Completeness",
          "value": 23.3
        },
        {
          "type": "Redundancy",
          "value": 1.39
        }
      ]
    }
  ]

}
  

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


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