Data quality metrics extracted from 1t1i.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": "bc5b63c488d6573f4b8d345374a2bf46",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.89,
    "b": 78.83,
    "c": 49.03,
    "alpha": 90.00,
    "beta": 106.41,
    "gamma": 90.00
  },
  "wavelengths": [1.05000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,1.28],
    "number_observations_unique": 74340,
    "quality_factors": [

    ]
  }
}
  

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


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