Data quality metrics extracted from 8gt0.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": "8ef16511b1ebf11fe631405f3b308f4b",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 65.100,
    "b": 118.063,
    "c": 119.340,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.96770],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.99,3.28],
    "number_observations_unique": 14644,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.428
      },
      {
        "type": "I/SigI",
        "value": 6.1
      },
      {
        "type": "Completeness",
        "value": 99.90
      },
      {
        "type": "Redundancy",
        "value": 8.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.40,3.28],
      "number_observations_unique": 1449,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.568
        }
      ]
    }
  ]

}
  

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


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