Data quality metrics extracted from 5gmt.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": "f6f04fe501af0317646c40eebe9cbe36",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 40.45,
    "b": 44.99,
    "c": 73.02,
    "alpha": 82.57,
    "beta": 88.79,
    "gamma": 63.70
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.77],
    "number_observations_unique": 42279,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.034
      },
      {
        "type": "I/SigI",
        "value": 17.5
      },
      {
        "type": "Completeness",
        "value": 94.8
      },
      {
        "type": "Redundancy",
        "value": 2.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.82,1.77],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.141
        }
      ]
    }
  ]

}
  

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


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