Data quality metrics extracted from 3fxu.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": "b47c65cd7c2cbeda0d853ae293f1e294",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 135.22,
    "b": 52.11,
    "c": 109.28,
    "alpha": 90.00,
    "beta": 111.51,
    "gamma": 90.00
  },
  "wavelengths": [0.93260],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.75,1.9],
    "number_observations_unique": 55862,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0607
      },
      {
        "type": "I/SigI",
        "value": 17.95
      },
      {
        "type": "Completeness",
        "value": 99.4
      },
      {
        "type": "Redundancy",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.99,1.9],
      "number_observations_unique": 7242,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4144
        },
        {
          "type": "I/SigI",
          "value": 2.62
        },
        {
          "type": "Completeness",
          "value": 97
        }
      ]
    }
  ]

}
  

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


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