Data quality metrics extracted from 6is2.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": "4cc4e451c4071ff862fb9943236cd0da",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 43.589,
    "b": 45.795,
    "c": 61.847,
    "alpha": 99.72,
    "beta": 102.26,
    "gamma": 86.50
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [31.7,1.59],
    "number_observations_unique": 58295,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 15.00
      },
      {
        "type": "Completeness",
        "value": 94.33
      },
      {
        "type": "Redundancy",
        "value": 3.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.65,1.59],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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