Data quality metrics extracted from 1fdu.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": "d6fcd09aadda7de6e62714e5923e7741",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 115.80,
    "b": 78.78,
    "c": 121.19,
    "alpha": 90.00,
    "beta": 92.91,
    "gamma": 90.00
  },
  "wavelengths": [0.98270],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.0,2.7],
    "number_observations_unique": 57170,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0920000
      },
      {
        "type": "Completeness",
        "value": 84.0
      },
      {
        "type": "Redundancy",
        "value": 3.96
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.83,2.7],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2770000
        },
        {
          "type": "Completeness",
        "value": 32.0
        },
        {
          "type": "Redundancy",
          "value": 2.36
        }
      ]
    }
  ]

}
  

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


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