Data quality metrics extracted from 5wgu.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": "8daaa276f29ff21a0521bcf1511f763f",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 79.637,
    "b": 121.300,
    "c": 170.625,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.03300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.430,2.052],
    "number_observations_unique": 51808,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1102
      },
      {
        "type": "R(meas)",
        "value": 0.137
      },
      {
        "type": "R(pim)",
        "value": 0.053
      },
      {
        "type": "I/SigI",
        "value": 12.29
      },
      {
        "type": "Completeness",
        "value": 99.58
      },
      {
        "type": "Redundancy",
        "value": 6.500
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.125,2.052],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.146
        },
        {
          "type": "R(meas)",
          "value": 1.393
        },
        {
          "type": "R(pim)",
          "value": 0.585
        },
        {
          "type": "I/SigI",
          "value": 1.25
        },
        {
          "type": "Completeness",
          "value": 96.51
        },
        {
          "type": "Redundancy",
          "value": 5.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.592
        }
      ]
    }
  ]

}
  

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


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