Data quality metrics extracted from 2g9h.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": "5f4483a3dbb5d1c4d3889bf715ed0dda",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 150.395,
    "b": 99.933,
    "c": 72.917,
    "alpha": 90.0,
    "beta": 92.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.0,2.0],
    "number_observations_unique": 72140,
    "quality_factors": [
      {
        "type": "Redundancy",
        "value": 4.05
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.07,2.00],
      "number_observations_unique": 7089,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.378
        },
        {
          "type": "Redundancy",
          "value": 3.93
        }
      ]
    }
  ]

}
  

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


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