Data quality metrics extracted from 9u39.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": "a9ef22912d25b130dae2c421ace3c536",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 104.980,
    "b": 90.030,
    "c": 122.544,
    "alpha": 90.000,
    "beta": 114.796,
    "gamma": 90.000
  },
  "wavelengths": [1.54179],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.858,2.218],
    "number_observations_unique": 47993,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06473
      },
      {
        "type": "R(meas)",
        "value": 0.07397
      },
      {
        "type": "R(pim)",
        "value": 0.03511
      },
      {
        "type": "I/SigI",
        "value": 11.94
      },
      {
        "type": "Completeness",
        "value": 93.25
      },
      {
        "type": "Redundancy",
        "value": 4.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.26,2.22],
      "number_observations_unique": 2225,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.434
        },
        {
          "type": "R(meas)",
          "value": 0.5074
        },
        {
          "type": "Completeness",
          "value": 78.57
        },
        {
          "type": "Redundancy",
          "value": 3.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.847
        }
      ]
    }
  ]

}
  

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


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