Data quality metrics extracted from 4e3d.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": "2e1ab45f4e931ee53f42e356929df5df",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.204,
    "b": 41.479,
    "c": 72.119,
    "alpha": 90.00,
    "beta": 104.32,
    "gamma": 90.00
  },
  "wavelengths": [1.54184],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [69.88,1.60],
    "number_observations_unique": 32032,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 99.66
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.642,1.60],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.84
        }
      ]
    }
  ]

}
  

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


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