Data quality metrics extracted from 9o6e.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": "3630855d5d7a83a8925829d5fc2c6999",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 54.974,
    "b": 99.385,
    "c": 59.362,
    "alpha": 90.00,
    "beta": 107.55,
    "gamma": 90.00
  },
  "wavelengths": [0.98700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.72,1.99],
    "number_observations_unique": 41682,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03
      },
      {
        "type": "I/SigI",
        "value": 12.5
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 2
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.06,1.99],
      "number_observations_unique": 4138,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.283
        },
        {
          "type": "CC(1/2)",
          "value": 0.811
        }
      ]
    }
  ]

}
  

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


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