Data quality metrics extracted from 3q1i.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": "daaca935f33580c86b0e61e9c25dc68c",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 35.5,
    "b": 51.5,
    "c": 57.6,
    "alpha": 90.0,
    "beta": 101.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.54,1.40],
    "number_observations_unique": 38959,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 97
      }
    ]
  }
}
  

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


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