Data quality metrics extracted from 9tu0.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": "ea02b71f38bf7b4b68d0aff6b48b7c93",
  "space_group_name": "P 65 2 2",
  "unit_cell": {
    "a": 59.817,
    "b": 59.817,
    "c": 388.698,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.96600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [64.7,2.17],
    "number_observations_unique": 609516,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.183
      },
      {
        "type": "R(meas)",
        "value": 0.186
      },
      {
        "type": "R(pim)",
        "value": 0.032
      },
      {
        "type": "I/SigI",
        "value": 18.5
      },
      {
        "type": "Completeness",
        "value": 91.6
      },
      {
        "type": "Redundancy",
        "value": 34
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.38,2.17],
      "number_observations_unique": 32486,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.649
        },
        {
          "type": "R(meas)",
          "value": 2.687
        },
        {
          "type": "R(pim)",
          "value": 0.442
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 49.0
        },
        {
          "type": "Redundancy",
          "value": 36.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.919
        }
      ]
    }
  ]

}
  

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


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