Data quality metrics extracted from 4d2w.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": "bd7bd3c6fc85f745b802e0115ccbc56e",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 65.956,
    "b": 74.947,
    "c": 78.216,
    "alpha": 85.74,
    "beta": 70.07,
    "gamma": 89.94
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.01,1.92],
    "number_observations_unique": 107563,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07
      },
      {
        "type": "I/SigI",
        "value": 4.90
      },
      {
        "type": "Completeness",
        "value": 94.5
      },
      {
        "type": "Redundancy",
        "value": 1.9
      }
    ]
  }
}
  

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


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