Data quality metrics extracted from 5tnu.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": "244c021b7bbda0a1924ce7b645e4eb89",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 160.922,
    "b": 160.922,
    "c": 122.960,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.880,3.050],
    "number_observations": 740378,
    "number_observations_unique": 31341,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.374
      },
      {
        "type": "R(meas)",
        "value": 0.382
      },
      {
        "type": "R(pim)",
        "value": 0.078
      },
      {
        "type": "I/SigI",
        "value": 11.200
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 23.600
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.210,3.050],
      "number_observations": 105244,
      "number_observations_unique": 4504,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.904
        },
        {
          "type": "R(meas)",
          "value": 2.967
        },
        {
          "type": "R(pim)",
          "value": 0.609
        },
        {
          "type": "I/SigI",
          "value": 2.000
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 23.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.629
        }
      ]
    },
    {
      "resolution_limits": [29.880,9.640],
      "number_observations": 24703,
      "number_observations_unique": 1080,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        },
        {
          "type": "R(meas)",
          "value": 0.066
        },
        {
          "type": "R(pim)",
          "value": 0.014
        },
        {
          "type": "I/SigI",
          "value": 33.800
        },
        {
          "type": "Completeness",
          "value": 96.700
        },
        {
          "type": "Redundancy",
          "value": 22.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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