Data quality metrics extracted from 4pp9.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": "e2d648a7c5a26544346ad2ac141d823c",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 55.039,
    "b": 104.090,
    "c": 57.313,
    "alpha": 90.00,
    "beta": 110.21,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40,2.6],
    "number_observations_unique": 17975,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.148
      },
      {
        "type": "I/SigI",
        "value": 7.9
      },
      {
        "type": "Completeness",
        "value": 92.6
      },
      {
        "type": "Redundancy",
        "value": 3.4
      }
    ]
  }
}
  

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


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