Data quality metrics extracted from 9nn9.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": "7e127493ced6a63b81d1a1c11091c83e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 68.46,
    "b": 114.47,
    "c": 79.29,
    "alpha": 90.00,
    "beta": 105.86,
    "gamma": 90.00
  },
  "wavelengths": [0.97934],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [99,2.59],
    "number_observations_unique": 36396,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1343
      },
      {
        "type": "R(meas)",
        "value": 0.1593
      },
      {
        "type": "R(pim)",
        "value": 0.085
      },
      {
        "type": "I/SigI",
        "value": 6.91
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.7,2.6],
      "number_observations_unique": 2168,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.8263
        },
        {
          "type": "R(meas)",
          "value": 0.9829
        },
        {
          "type": "R(pim)",
          "value": 0.5274
        },
        {
          "type": "I/SigI",
          "value": 1.26
        },
        {
          "type": "Completeness",
          "value": 95.69
        },
        {
          "type": "CC(1/2)",
          "value": 0.344
        }
      ]
    }
  ]

}
  

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


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