Data quality metrics extracted from 6ugg.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": "2a2dfbdb577c6eac44cc29287b882e04",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 64.677,
    "b": 64.677,
    "c": 195.799,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.07820],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.62,1.95],
    "number_observations_unique": 35638,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.155
      },
      {
        "type": "R(meas)",
        "value": 0.158
      },
      {
        "type": "R(pim)",
        "value": 0.029
      },
      {
        "type": "I/SigI",
        "value": 15.8
      },
      {
        "type": "Completeness",
        "value": 94.0
      },
      {
        "type": "Redundancy",
        "value": 30
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.056,1.95],
      "number_observations_unique": 55102,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.683
        },
        {
          "type": "R(meas)",
          "value": 2.724
        },
        {
          "type": "R(pim)",
          "value": 0.468
        },
        {
          "type": "I/SigI",
          "value": 1.8
        },
        {
          "type": "Completeness",
          "value": 50.8
        },
        {
          "type": "Redundancy",
          "value": 33.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.488
        }
      ]
    }
  ]

}
  

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


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