Data quality metrics extracted from 9n9b.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": "7fc620713abec7e3c665a8b114e92574",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 96.420,
    "b": 82.186,
    "c": 54.441,
    "alpha": 90.000,
    "beta": 117.368,
    "gamma": 90.000
  },
  "wavelengths": [1.54060],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [21.73,1.6],
    "number_observations_unique": 48511,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0376
      },
      {
        "type": "R(meas)",
        "value": 0.04278
      },
      {
        "type": "R(pim)",
        "value": 0.01966
      },
      {
        "type": "I/SigI",
        "value": 20.32
      },
      {
        "type": "Completeness",
        "value": 97.57
      },
      {
        "type": "Redundancy",
        "value": 4.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.64,1.6],
      "number_observations_unique": 3378,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6108
        },
        {
          "type": "R(meas)",
          "value": 0.7694
        },
        {
          "type": "R(pim)",
          "value": 0.4597
        },
        {
          "type": "I/SigI",
          "value": 1.39
        },
        {
          "type": "Completeness",
          "value": 95.13
        },
        {
          "type": "Redundancy",
          "value": 2.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.693
        }
      ]
    }
  ]

}
  

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


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