Data quality metrics extracted from 5wt2.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": "9f92479e83f01683fdd02cca807df3a1",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 103.01,
    "b": 103.01,
    "c": 133.65,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.553,2.300],
    "number_observations": 448717,
    "number_observations_unique": 32281,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0739
      },
      {
        "type": "R(meas)",
        "value": 0.0769
      },
      {
        "type": "R(pim)",
        "value": 0.0209
      },
      {
        "type": "I/SigI",
        "value": 24.34
      },
      {
        "type": "Completeness",
        "value": 98.45
      },
      {
        "type": "Redundancy",
        "value": 7.440
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.400,2.300],
      "number_observations": 46203,
      "number_observations_unique": 3195,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.8207
        },
        {
          "type": "R(meas)",
          "value": 0.851
        },
        {
          "type": "R(pim)",
          "value": 0.2234
        },
        {
          "type": "I/SigI",
          "value": 3.78
        },
        {
          "type": "Completeness",
          "value": 99.72
        },
        {
          "type": "Redundancy",
          "value": 7.614
        },
        {
          "type": "CC(1/2)",
          "value": 0.97
        }
      ]
    }
  ]

}
  

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


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