Data quality metrics extracted from 4glg.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": "5d81443ad4dfc189210b8135afc538f8",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 24.744,
    "b": 41.885,
    "c": 66.062,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00067],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.92,1.72],
    "number_observations_unique": 7618,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.024
      },
      {
        "type": "I/SigI",
        "value": 28.99
      },
      {
        "type": "Completeness",
        "value": 97.9
      },
      {
        "type": "Redundancy",
        "value": 3.65
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.82,1.72],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.213
        },
        {
          "type": "I/SigI",
          "value": 6.94
        },
        {
          "type": "Completeness",
          "value": 96.1
        },
        {
          "type": "Redundancy",
          "value": 3.75
        }
      ]
    }
  ]

}
  

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


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