Data quality metrics extracted from 9f2t.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": "b94c462323487d0261a9122fe0032c07",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 83.678,
    "b": 84.954,
    "c": 86.702,
    "alpha": 89.966,
    "beta": 61.596,
    "gamma": 66.264
  },
  "wavelengths": [0.95374],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [75.55,2.05],
    "number_observations_unique": 115401,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.201
      },
      {
        "type": "I/SigI",
        "value": 7.1
      },
      {
        "type": "Completeness",
        "value": 98.2
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.987
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.08,2.05],
      "number_observations_unique": 5668,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.33
        },
        {
          "type": "CC(1/2)",
          "value": 0.325
        }
      ]
    }
  ]

}
  

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


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