Data quality metrics extracted from 4n5y.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": "c397b6f7a6f24d37bfd5acc6d0762c42",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 117.915,
    "b": 118.105,
    "c": 273.799,
    "alpha": 91.50,
    "beta": 90.18,
    "gamma": 119.87
  },
  "wavelengths": [1.05876],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,3.1615],
    "number_observations_unique": 199766,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.13
      },
      {
        "type": "I/SigI",
        "value": 7.1
      },
      {
        "type": "Completeness",
        "value": 93.6
      },
      {
        "type": "Redundancy",
        "value": 1.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.27,3.1615],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 83.4
        }
      ]
    }
  ]

}
  

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


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