Data quality metrics extracted from 5tph.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": "a4791b3d036fa5a5ad26649db342f39d",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 38.21,
    "b": 32.79,
    "c": 86.48,
    "alpha": 90.00,
    "beta": 92.11,
    "gamma": 90.00
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.21,2.47],
    "number_observations_unique": 7955,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 22.1
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 3.7
      }
    ]
  }
}
  

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


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