Data quality metrics extracted from 6n6n.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": "f9e2daa5c17cf8955b439f8ee1d80cee",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 35.420,
    "b": 76.883,
    "c": 106.935,
    "alpha": 90.00,
    "beta": 92.54,
    "gamma": 90.00
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.171,1.877],
    "number_observations_unique": 46635,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05251
      },
      {
        "type": "R(meas)",
        "value": 0.07426
      },
      {
        "type": "R(pim)",
        "value": 0.05251
      },
      {
        "type": "I/SigI",
        "value": 11.02
      },
      {
        "type": "Completeness",
        "value": 99.45
      },
      {
        "type": "Redundancy",
        "value": 2
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.944,1.877],
      "quality_factors": [

      ]
    }
  ]

}
  

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


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