Data quality metrics extracted from 4pp3.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": "b8c8c2d7e71a40df7b0d2c539dfc1a0c",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 66.224,
    "b": 66.224,
    "c": 110.874,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,2.0],
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.067
      },
      {
        "type": "I/SigI",
        "value": 30.8
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 8.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.12,1.99],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 98.6
        }
      ]
    }
  ]

}
  

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


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