Data quality metrics extracted from 5igd.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": "0d605e6d6dcaffa48ba2ec9fdd349f00",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 31.122,
    "b": 60.380,
    "c": 38.259,
    "alpha": 90.0,
    "beta": 93.7,
    "gamma": 90.0
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [60.380,1.800],
    "number_observations_unique": 13194,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0201
      },
      {
        "type": "I/SigI",
        "value": 33.700
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 16.290
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.840,1.800],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1372
        },
        {
          "type": "I/SigI",
          "value": 6.71
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 10.380
        }
      ]
    }
  ]

}
  

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


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