Data quality metrics extracted from 6ttj.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": "f98d6684ebedfcda758e358176d9feea",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 107.450,
    "b": 186.708,
    "c": 152.200,
    "alpha": 90.00,
    "beta": 104.86,
    "gamma": 90.00
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49,3.39],
    "number_observations_unique": 79402,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.415
      },
      {
        "type": "I/SigI",
        "value": 4.8
      },
      {
        "type": "Completeness",
        "value": 99.0
      },
      {
        "type": "Redundancy",
        "value": 3.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.95
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.46,3.39],
      "number_observations_unique": 4000,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.698
        },
        {
          "type": "I/SigI",
          "value": 1.2
        },
        {
          "type": "Completeness",
          "value": 87.6
        },
        {
          "type": "Redundancy",
          "value": 3.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.852
        }
      ]
    }
  ]

}
  

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


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