Data quality metrics extracted from 9pf5.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": "44ce75f2d27a4b2dd782c4aaf826a124",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 67.936,
    "b": 68.202,
    "c": 68.149,
    "alpha": 88.288,
    "beta": 89.973,
    "gamma": 65.890
  },
  "wavelengths": [0.97934],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [62.219,5.618],
    "number_observations_unique": 2053,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 5.1
      },
      {
        "type": "Completeness",
        "value": 80.6
      },
      {
        "type": "Redundancy",
        "value": 2.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.988
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [6.649,5.618],
      "number_observations_unique": 205,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.468
        }
      ]
    },
    {
      "resolution_limits": [62.219,14.057],
      "number_observations_unique": 205,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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


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