Data quality metrics extracted from 6x8d.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": "75f92dca674585cfacfc9f678b8b3f26",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 45.12,
    "b": 50.71,
    "c": 79.62,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97949],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.77,0.96],
    "number_observations_unique": 106425,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.067
      },
      {
        "type": "I/SigI",
        "value": 19.1
      },
      {
        "type": "Completeness",
        "value": 95.17
      },
      {
        "type": "Redundancy",
        "value": 11
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [0.99,0.96],
      "number_observations_unique": 6942,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.685
        }
      ]
    }
  ]

}
  

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


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