Data quality metrics extracted from 1u8t.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": "a0b829b698d34b50d3da336ea41f9dc7",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 54.28,
    "b": 53.48,
    "c": 54.10,
    "alpha": 60.36,
    "beta": 60.75,
    "gamma": 60.57
  },
  "wavelengths": [0.98397,0.97938,0.97925,0.97239],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [13.600,1.450],
    "number_observations_unique": 71506,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1
      },
      {
        "type": "I/SigI",
        "value": 8.6
      },
      {
        "type": "Completeness",
        "value": 92.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.51,1.45],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.374
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Completeness",
          "value": 72.0
        }
      ]
    }
  ]

}
  

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


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