Data quality metrics extracted from 5vaf.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": "bbaf8541a5133273e383aa517b68f5c8",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 41.502,
    "b": 99.897,
    "c": 179.069,
    "alpha": 100.66,
    "beta": 90.07,
    "gamma": 95.78
  },
  "wavelengths": [0.97890],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [97.6540,2.77],
    "number_observations_unique": 66446,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.166
      },
      {
        "type": "I/SigI",
        "value": 13.63
      },
      {
        "type": "Completeness",
        "value": 92.70
      },
      {
        "type": "Redundancy",
        "value": 3.2
      }
    ]
  }
}
  

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


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