Data quality metrics extracted from 7tgk.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": "570f1eb38bb8e7e620aa66ba3d6120e5",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 126.407,
    "b": 237.528,
    "c": 326.829,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.0,2.3],
    "number_observations_unique": 216739,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.102
      },
      {
        "type": "R(pim)",
        "value": 0.04
      },
      {
        "type": "I/SigI",
        "value": 13.3
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 13.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.42,2.30],
      "number_observations_unique": 250917,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.4
        },
        {
          "type": "R(pim)",
          "value": 0.55
        },
        {
          "type": "I/SigI",
          "value": 1.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.627
        }
      ]
    }
  ]

}
  

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


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