Data quality metrics extracted from 3si7.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": "9e1ef89f74dcb6aba8ce5426bea72e5b",
  "space_group_name": "P 4 21 2",
  "unit_cell": {
    "a": 170.546,
    "b": 170.546,
    "c": 109.370,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97156],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,2.25],
    "number_observations_unique": 76676,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 100
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.28,2.25],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100
        }
      ]
    }
  ]

}
  

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


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