Data quality metrics extracted from 4ttn.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": "ca10de3aa9a6e7b19d00522fb70c0169",
  "space_group_name": "P -1",
  "unit_cell": {
    "a": 22.186,
    "b": 25.923,
    "c": 37.713,
    "alpha": 93.80,
    "beta": 106.59,
    "gamma": 99.91
  },
  "wavelengths": [0.95370],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [25.35,1.25],
    "number_observations_unique": 20418,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 16.95
      },
      {
        "type": "Completeness",
        "value": 93.9
      },
      {
        "type": "Redundancy",
        "value": 1.90
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.29,1.25],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.138
        },
        {
          "type": "I/SigI",
          "value": 5.5
        },
        {
          "type": "Completeness",
          "value": 89.90
        },
        {
          "type": "Redundancy",
          "value": 1.9
        }
      ]
    }
  ]

}
  

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


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