Data quality metrics extracted from 1ppr.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": "b3a4a1ed0f7aa10343e1399fff2993de",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 198.426,
    "b": 116.296,
    "c": 67.025,
    "alpha": 90.00,
    "beta": 94.89,
    "gamma": 90.00
  },
  "wavelengths": [0.86500],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.8,2.0],
    "number_observations_unique": 96045,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0540000
      },
      {
        "type": "Completeness",
        "value": 92.5
      },
      {
        "type": "Redundancy",
        "value": 2.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.10,2.0],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1900000
        },
        {
          "type": "Completeness",
          "value": 92.6
        }
      ]
    }
  ]

}
  

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


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