Data quality metrics extracted from 6is3.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": "57533dea9b4b86a6e00f525bc35bbf07",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 38.375,
    "b": 41.208,
    "c": 42.877,
    "alpha": 97.50,
    "beta": 118.85,
    "gamma": 96.06
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33,1.55],
    "number_observations_unique": 28417,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 21.36
      },
      {
        "type": "Completeness",
        "value": 87.26
      },
      {
        "type": "Redundancy",
        "value": 3.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.60,1.55],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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