Data quality metrics extracted from 1t6e.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": "16b64f6c50c7e2d1c375f655fb0b66d5",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 50.259,
    "b": 66.722,
    "c": 106.063,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.81100],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.0,1.70],
    "number_observations_unique": 35394,
    "quality_factors": [

    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.73,1.70],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.5
        }
      ]
    }
  ]

}
  

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


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