Data quality metrics extracted from 4upj.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": "cb701571dd62f2413d967036e9280a95",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 31.128,
    "b": 45.312,
    "c": 132.735,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [10.0,1.9],
    "number_observations_unique": 12378,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1110000
      },
      {
        "type": "I/SigI",
        "value": 8.8
      },
      {
        "type": "Completeness",
        "value": 78.6
      },
      {
        "type": "Redundancy",
        "value": 4.0
      }
    ]
  }
}
  

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


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