Data quality metrics extracted from 4nre.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": "5be4f07695f063f5df48d0c00964522c",
  "space_group_name": "H 3 2",
  "unit_cell": {
    "a": 155.794,
    "b": 155.794,
    "c": 263.219,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97923],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.55,2.63],
    "number_observations_unique": 34599,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 99.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.77,2.63],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 69.6
        }
      ]
    }
  ]

}
  

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


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