Data quality metrics extracted from 1duh.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": "b9fe5e7abc516cbb4fec2e5cc8d7fa13",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 69.697,
    "b": 69.697,
    "c": 84.102,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.03020,1.33660,1.33690,0.99680,1.33590],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [22.50,2.70],
    "number_observations_unique": 12371,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0760000
      },
      {
        "type": "I/SigI",
        "value": 14.5
      },
      {
        "type": "Completeness",
        "value": 98.5
      },
      {
        "type": "Redundancy",
        "value": 4.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.80,2.70],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5930000
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 4.1
        }
      ]
    }
  ]

}
  

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


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