Data quality metrics extracted from 3wn5.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": "456489632da3bfa3e969ee6d510ede73",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 75.03,
    "b": 72.49,
    "c": 163.48,
    "alpha": 90.00,
    "beta": 91.15,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.030,2.780],
    "number_observations_unique": 43675,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07900
      },
      {
        "type": "I/SigI",
        "value": 13.9100
      },
      {
        "type": "Completeness",
        "value": 98.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.85,2.78],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.61900
        },
        {
          "type": "I/SigI",
          "value": 2.090
        },
        {
          "type": "Completeness",
          "value": 98.2
        }
      ]
    }
  ]

}
  

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


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