Data quality metrics extracted from 7tua.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": "e09437fbd934a616a19a6c5b33ea2326",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 54.44,
    "b": 54.44,
    "c": 104.07,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.09717],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.69,1.35],
    "number_observations_unique": 39819,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06954
      },
      {
        "type": "R(meas)",
        "value": 0.07183
      },
      {
        "type": "R(pim)",
        "value": 0.0176
      },
      {
        "type": "I/SigI",
        "value": 19.96
      },
      {
        "type": "Completeness",
        "value": 99.42
      },
      {
        "type": "Redundancy",
        "value": 13.7
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.398,1.35],
      "number_observations_unique": 3769,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.104
        },
        {
          "type": "R(meas)",
          "value": 2.243
        },
        {
          "type": "R(pim)",
          "value": 0.7573
        },
        {
          "type": "I/SigI",
          "value": 1.02
        },
        {
          "type": "Completeness",
          "value": 95.14
        },
        {
          "type": "Redundancy",
          "value": 8.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.383
        }
      ]
    }
  ]

}
  

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


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