Data quality metrics extracted from 6xfj.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": "ef3a610ea9d91bbe8df2be4b83627703",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 25.503,
    "b": 53.183,
    "c": 56.851,
    "alpha": 107.69,
    "beta": 97.20,
    "gamma": 95.95
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.36,1.20],
    "number_observations_unique": 82540,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 11.1
      },
      {
        "type": "Completeness",
        "value": 94.5
      },
      {
        "type": "Redundancy",
        "value": 3.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.24,1.20],
      "number_observations_unique": 7937,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.681
        }
      ]
    }
  ]

}
  

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


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