Data quality metrics extracted from 6isg.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": "591325954c0a96425230f933f662cfa6",
  "space_group_name": "I 2 3",
  "unit_cell": {
    "a": 208.078,
    "b": 208.078,
    "c": 208.078,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99980],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.81,3.401],
    "number_observations_unique": 20707,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.02677
      },
      {
        "type": "I/SigI",
        "value": 8.35
      },
      {
        "type": "Completeness",
        "value": 99.87
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.522,3.401],
      "number_observations_unique": 2046,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4758
        },
        {
          "type": "CC(1/2)",
          "value": 0.585
        }
      ]
    }
  ]

}
  

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


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