Data quality metrics extracted from 6tuk.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": "7eb2e08c4035fe3fdf56a5ad0e8a1301",
  "space_group_name": "P 41 3 2",
  "unit_cell": {
    "a": 142.791,
    "b": 142.791,
    "c": 142.791,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [142.790,1.900],
    "number_observations": 2946416,
    "number_observations_unique": 39768,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.158
      },
      {
        "type": "R(meas)",
        "value": 0.159
      },
      {
        "type": "R(pim)",
        "value": 0.018
      },
      {
        "type": "I/SigI",
        "value": 25.000
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 74.100
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.940,1.900],
      "number_observations": 144375,
      "number_observations_unique": 2527,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.742
        },
        {
          "type": "R(meas)",
          "value": 2.766
        },
        {
          "type": "R(pim)",
          "value": 0.363
        },
        {
          "type": "I/SigI",
          "value": 2.000
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 57.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.704
        }
      ]
    },
    {
      "resolution_limits": [142.790,9.110],
      "number_observations": 28051,
      "number_observations_unique": 464,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "R(meas)",
          "value": 0.035
        },
        {
          "type": "R(pim)",
          "value": 0.004
        },
        {
          "type": "I/SigI",
          "value": 97.400
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 60.500
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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


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