Data quality metrics extracted from 3thd.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": "c3905556d4be66744482c4712682befd",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 94.792,
    "b": 115.996,
    "c": 140.327,
    "alpha": 90.00,
    "beta": 92.22,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.29,1.79],
    "number_observations_unique": 249160,
    "quality_factors": [

    ]
  }
}
  

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


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