Data quality metrics extracted from 3pce.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": "8de404348d42c93aaa7a70716f4f81d6",
  "space_group_name": "I 1 2 1",
  "unit_cell": {
    "a": 196.57,
    "b": 127.77,
    "c": 134.63,
    "alpha": 90.0,
    "beta": 97.7,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [15.,2.06],
    "number_observations_unique": 161694,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0900000
      },
      {
        "type": "I/SigI",
        "value": 10.1
      },
      {
        "type": "Completeness",
        "value": 79.8
      },
      {
        "type": "Redundancy",
        "value": 2.1
      }
    ]
  }
}
  

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


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