Data quality metrics extracted from 6a6c.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": "2e43766e07f5335e0cc3aa92eb969821",
  "space_group_name": "I 4 2 2",
  "unit_cell": {
    "a": 67.424,
    "b": 67.424,
    "c": 74.988,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33.712,2.05],
    "number_observations_unique": 8208,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.105
      },
      {
        "type": "I/SigI",
        "value": 25.86
      },
      {
        "type": "Completeness",
        "value": 87.68
      },
      {
        "type": "Redundancy",
        "value": 18.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.123,2.05],
      "number_observations_unique": 537,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.412
        }
      ]
    }
  ]

}
  

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


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