Data quality metrics extracted from 6e17.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": "78c6f6dc8b80b382170aeb508795a4bd",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 48.673,
    "b": 80.045,
    "c": 119.170,
    "alpha": 90.00,
    "beta": 92.57,
    "gamma": 90.00
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.64,1.97],
    "number_observations_unique": 63916,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.043
      },
      {
        "type": "I/SigI",
        "value": 38.5
      },
      {
        "type": "Completeness",
        "value": 98.79
      },
      {
        "type": "Redundancy",
        "value": 2.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.04,1.97],
      "number_observations_unique": 63916,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.120
        }
      ]
    }
  ]

}
  

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


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