Data quality metrics extracted from 5qtf.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": "7028e9cbe9f554a73075e284b490e7b0",
  "space_group_name": "P 61 2 2",
  "unit_cell": {
    "a": 60.623,
    "b": 60.623,
    "c": 341.323,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.96600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.887,1.783],
    "number_observations": 811733,
    "number_observations_unique": 24054,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.125
      },
      {
        "type": "R(meas)",
        "value": 0.120
      },
      {
        "type": "R(pim)",
        "value": 0.020
      },
      {
        "type": "I/SigI",
        "value": 20.300
      },
      {
        "type": "Completeness",
        "value": 65.000
      },
      {
        "type": "Redundancy",
        "value": 36.500
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.010,1.783],
      "number_observations": 121699,
      "number_observations_unique": 3167,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.569
        },
        {
          "type": "R(meas)",
          "value": 2.029
        },
        {
          "type": "R(pim)",
          "value": 0.325
        },
        {
          "type": "I/SigI",
          "value": 1.700
        },
        {
          "type": "Completeness",
          "value": 11.100
        },
        {
          "type": "Redundancy",
          "value": 37.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    }
  ]

}
  

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


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