Data quality metrics extracted from 1sui.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": "cd3d49d291d1c7b4e0584f41cf6cc654",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 60.854,
    "b": 136.486,
    "c": 332.778,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97966,0.97927,0.97549],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.000,2.700],
    "number_observations_unique": 34905,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.063
      },
      {
        "type": "I/SigI",
        "value": 22.3000
      },
      {
        "type": "Completeness",
        "value": 85.7
      },
      {
        "type": "Redundancy",
        "value": 2.340
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.78,2.70],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.315
        },
        {
          "type": "I/SigI",
          "value": 1.000
        },
        {
          "type": "Completeness",
          "value": 49.5
        },
        {
          "type": "Redundancy",
          "value": 1.54
        }
      ]
    }
  ]

}
  

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


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