Data quality metrics extracted from 3u9q.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": "7f46250ddbc605337d6cc10e2fb04b78",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 43.726,
    "b": 54.346,
    "c": 66.809,
    "alpha": 90.00,
    "beta": 107.52,
    "gamma": 90.00
  },
  "wavelengths": [0.62000,1.91000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.082,1.52],
    "number_observations_unique": 43465,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 94.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.562,1.5220],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 97.64
        }
      ]
    }
  ]

}
  

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


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