Data quality metrics extracted from 8tlb.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": "5afa9e3a0fe0a7caac0087888585bba2",
  "space_group_name": "P 61",
  "unit_cell": {
    "a": 55.83,
    "b": 55.83,
    "c": 136.44,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.98700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.35,1.9],
    "number_observations_unique": 18944,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.099
      },
      {
        "type": "R(meas)",
        "value": 0.1012
      },
      {
        "type": "R(pim)",
        "value": 0.02244
      },
      {
        "type": "I/SigI",
        "value": 28.39
      },
      {
        "type": "Completeness",
        "value": 99.98
      },
      {
        "type": "Redundancy",
        "value": 20.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.968,1.90],
      "number_observations_unique": 1893,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.7082
        },
        {
          "type": "R(meas)",
          "value": 0.7254
        },
        {
          "type": "R(pim)",
          "value": 0.1566
        },
        {
          "type": "I/SigI",
          "value": 9.23
        },
        {
          "type": "Completeness",
          "value": 100.00
        },
        {
          "type": "Redundancy",
          "value": 21.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.977
        }
      ]
    }
  ]

}
  

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


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