Data quality metrics extracted from 7twt.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": "05332956ca0d69654139d645fc61d6af",
  "space_group_name": "P 43",
  "unit_cell": {
    "a": 88.509,
    "b": 88.509,
    "c": 39.968,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.77490],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.58,0.9],
    "number_observations_unique": 227571,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.04746
      },
      {
        "type": "I/SigI",
        "value": 17.44
      },
      {
        "type": "Completeness",
        "value": 99.84
      },
      {
        "type": "Redundancy",
        "value": 6.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [0.9332,0.9],
      "number_observations_unique": 22460,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.8695
        }
      ]
    }
  ]

}
  

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


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