Data quality metrics extracted from 6ti2.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": "77c8aaa96bf3b4b1c9c12a60d0f1e540",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 57.74,
    "b": 124.58,
    "c": 98.21,
    "alpha": 90.000,
    "beta": 96.216,
    "gamma": 90.000
  },
  "wavelengths": [1.07252],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.82,2.75],
    "number_observations_unique": 35373,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.087
      },
      {
        "type": "I/SigI",
        "value": 8.31
      },
      {
        "type": "Completeness",
        "value": 98.38
      },
      {
        "type": "Redundancy",
        "value": 3.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.85,2.75],
      "number_observations_unique": 3546,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.705
        },
        {
          "type": "I/SigI",
          "value": 1.36
        },
        {
          "type": "CC(1/2)",
          "value": 0.615
        }
      ]
    }
  ]

}
  

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


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