Data quality metrics extracted from 1jpp.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": "939c9bc2408d6c54e4fa2b452d5a141b",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 51.090,
    "b": 69.255,
    "c": 95.099,
    "alpha": 68.70,
    "beta": 87.04,
    "gamma": 85.32
  },
  "wavelengths": [0.97000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [28.3,3.1],
    "number_observations_unique": 19916,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0820000
      },
      {
        "type": "Completeness",
        "value": 90.7
      },
      {
        "type": "Redundancy",
        "value": 1.47
      }
    ]
  }
}
  

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


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