Data quality metrics extracted from 2iut.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": "2c363e307030124b44ae2a440c9c2185",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 46.168,
    "b": 57.431,
    "c": 98.057,
    "alpha": 94.57,
    "beta": 93.80,
    "gamma": 107.66
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [100.000,2.250],
    "number_observations_unique": 39962,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08000
      },
      {
        "type": "I/SigI",
        "value": 9.1000
      },
      {
        "type": "Completeness",
        "value": 93.8
      },
      {
        "type": "Redundancy",
        "value": 1.900
      }
    ]
  }
}
  

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


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