Data quality metrics extracted from 7rpt.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": "85f87e9028329a5d055242e60211d7dc",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 53.659,
    "b": 65.674,
    "c": 125.556,
    "alpha": 98.737,
    "beta": 91.366,
    "gamma": 96.009
  },
  "wavelengths": [1.03317],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [123.998,2.5],
    "number_observations_unique": 38276,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 2.7
      },
      {
        "type": "Completeness",
        "value": 78.1
      },
      {
        "type": "Redundancy",
        "value": 1.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.987
      }
    ]
  }
}
  

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


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