Data quality metrics extracted from 6b6d.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": "231e874d8398bb7c43940e4fe829baa1",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 39.63,
    "b": 41.65,
    "c": 69.35,
    "alpha": 90.00,
    "beta": 104.93,
    "gamma": 90.00
  },
  "wavelengths": [1.30000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.807,1.8],
    "number_observations_unique": 18648,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 9.6
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 831.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.89,1.80],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 89
        },
        {
          "type": "CC(1/2)",
          "value": 0.55
        }
      ]
    }
  ]

}
  

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


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