Data quality metrics extracted from 4yuh.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": "da9f2bc92d924eb3fcda447395969f8b",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 42.45,
    "b": 51.82,
    "c": 88.01,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97670],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.117,1.34],
    "number_observations_unique": 42288,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03
      },
      {
        "type": "I/SigI",
        "value": 25.95
      },
      {
        "type": "Completeness",
        "value": 95
      },
      {
        "type": "Redundancy",
        "value": 3.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.39,1.34],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.294
        },
        {
          "type": "I/SigI",
          "value": 3.24
        },
        {
          "type": "Completeness",
          "value": 80
        },
        {
          "type": "Redundancy",
          "value": 2.1
        }
      ]
    }
  ]

}
  

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


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