Data quality metrics extracted from 5nsw.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": "997b0d3a4df24e1ad8972f13845dc9d0",
  "space_group_name": "I 4",
  "unit_cell": {
    "a": 256.412,
    "b": 256.412,
    "c": 81.395,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.77100],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [181.0,2.50],
    "number_observations_unique": 91716,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.19
      },
      {
        "type": "R(pim)",
        "value": 0.07
      },
      {
        "type": "I/SigI",
        "value": 4.50
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 6.7
      }
    ]
  }
}
  

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


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