Data quality metrics extracted from 3uyt.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": "e854ed345753c0cdf02a81e36ddb6552",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 49.15,
    "b": 85.34,
    "c": 89.14,
    "alpha": 72.87,
    "beta": 74.36,
    "gamma": 87.26
  },
  "wavelengths": [0.97870],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,1.92],
    "number_observations_unique": 97538,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.075
      },
      {
        "type": "Completeness",
        "value": 97.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.99,1.92],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.534
        },
        {
          "type": "Completeness",
          "value": 95.2
        }
      ]
    }
  ]

}
  

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


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