Data quality metrics extracted from 6x9p.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": "d4e22721667b6a6fd8eb0edcae2d4fa7",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 45.22,
    "b": 50.53,
    "c": 79.47,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97949],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.74,0.96],
    "number_observations_unique": 106580,
    "quality_factors": [
      {
        "type": "R(pim)",
        "value": 0.018
      },
      {
        "type": "I/SigI",
        "value": 17.8
      },
      {
        "type": "Completeness",
        "value": 95.76
      },
      {
        "type": "Redundancy",
        "value": 11.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1,0.96],
      "number_observations_unique": 7177,
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 1.468
        }
      ]
    }
  ]

}
  

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


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