Data quality metrics extracted from 8gpp.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": "7ecf7e384b1d645e071b4f9f65278d1f",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 51.073,
    "b": 93.123,
    "c": 56.445,
    "alpha": 90.00,
    "beta": 109.41,
    "gamma": 90.00
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.170,2.09],
    "number_observations_unique": 28739,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1344
      },
      {
        "type": "I/SigI",
        "value": 10.14
      },
      {
        "type": "Completeness",
        "value": 97.50
      },
      {
        "type": "Redundancy",
        "value": 6.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.17,2.09],
      "number_observations_unique": 2509,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.439
        },
        {
          "type": "CC(1/2)",
          "value": 0.511
        }
      ]
    }
  ]

}
  

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


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