Data quality metrics extracted from 9pf6.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": "f446767ab2a98601007ad17d2f3f93fb",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 68.847,
    "b": 68.850,
    "c": 69.175,
    "alpha": 105.479,
    "beta": 96.061,
    "gamma": 95.902
  },
  "wavelengths": [0.97934],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [67.819,6.83],
    "number_observations_unique": 1439,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 5.7
      },
      {
        "type": "Completeness",
        "value": 79.7
      },
      {
        "type": "Redundancy",
        "value": 1.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [8.002,6.832],
      "number_observations_unique": 206,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.608
        }
      ]
    },
    {
      "resolution_limits": [67.819,14.419],
      "number_observations_unique": 206,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}
  

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


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