Data quality metrics extracted from 9bo9.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": "bf0e59e2d5622304801dc8643a3a406a",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 53.720,
    "b": 61.780,
    "c": 68.049,
    "alpha": 90.872,
    "beta": 109.392,
    "gamma": 108.270
  },
  "wavelengths": [0.92011],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.67,1.98],
    "number_observations_unique": 52496,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.06865
      },
      {
        "type": "I/SigI",
        "value": 8.95
      },
      {
        "type": "Completeness",
        "value": 96.98
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.054,1.98],
      "number_observations_unique": 4871,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.17
        },
        {
          "type": "I/SigI",
          "value": 0.85
        },
        {
          "type": "Completeness",
          "value": 90.41
        },
        {
          "type": "Redundancy",
          "value": 3.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.515
        }
      ]
    }
  ]

}
  

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


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