Data quality metrics extracted from 9tgx.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "986d616a6a90c96655a7281ddb36a15c",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 44.482,
    "b": 76.372,
    "c": 91.884,
    "alpha": 90.000,
    "beta": 95.971,
    "gamma": 90.000
  },
  "wavelengths": [1.03320],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.55,1.45],
    "number_observations_unique": 362614,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.037
      },
      {
        "type": "R(meas)",
        "value": 0.042
      },
      {
        "type": "R(pim)",
        "value": 0.023
      },
      {
        "type": "I/SigI",
        "value": 13.1
      },
      {
        "type": "Completeness",
        "value": 99.0
      },
      {
        "type": "Redundancy",
        "value": 6.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.47,1.45],
      "number_observations_unique": 2635,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.179
        },
        {
          "type": "R(pim)",
          "value": 0.745
        },
        {
          "type": "CC(1/2)",
          "value": 0.689
        }
      ]
    }
  ]

}
  

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


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