Data quality metrics extracted from 6x5v.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": "09dd3ad7919ae52591b957d83e9e658c",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 49.816,
    "b": 61.598,
    "c": 63.434,
    "alpha": 118.958,
    "beta": 106.000,
    "gamma": 93.318
  },
  "wavelengths": [0.97949],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [52.5,1.6],
    "number_observations_unique": 138852,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 12.1
      },
      {
        "type": "Completeness",
        "value": 89
      },
      {
        "type": "Redundancy",
        "value": 6.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.63,1.6],
      "number_observations_unique": 3829,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.724
        }
      ]
    }
  ]

}
  

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


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