Data quality metrics extracted from 9gbt.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": "b90187f84e04fa55f63150044e45fa47",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 38.044,
    "b": 76.936,
    "c": 59.619,
    "alpha": 90.000,
    "beta": 91.234,
    "gamma": 90.000
  },
  "wavelengths": [0.96770],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [59.61,2.428],
    "number_observations_unique": 15039,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.221
      },
      {
        "type": "R(meas)",
        "value": 0.2384
      },
      {
        "type": "R(pim)",
        "value": 0.08844
      },
      {
        "type": "I/SigI",
        "value": 4.54
      },
      {
        "type": "Completeness",
        "value": 98.94
      },
      {
        "type": "Redundancy",
        "value": 7.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.62,2.43],
      "number_observations_unique": 2922,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.641
        },
        {
          "type": "R(meas)",
          "value": 2.859
        },
        {
          "type": "R(pim)",
          "value": 1.081
        },
        {
          "type": "I/SigI",
          "value": 0.47
        },
        {
          "type": "Completeness",
          "value": 98.88
        },
        {
          "type": "Redundancy",
          "value": 6.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.46
        }
      ]
    }
  ]

}
  

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


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