Data quality metrics extracted from 6tsy.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": "dbb9e8b0641debafc13041ce0ae0c7e5",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 106.019,
    "b": 109.905,
    "c": 55.402,
    "alpha": 90.00,
    "beta": 100.89,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.76,2.25],
    "number_observations_unique": 28317,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.15
      },
      {
        "type": "R(meas)",
        "value": 0.19
      },
      {
        "type": "R(pim)",
        "value": 0.10
      },
      {
        "type": "I/SigI",
        "value": 9.93
      },
      {
        "type": "Completeness",
        "value": 95.51
      },
      {
        "type": "Redundancy",
        "value": 3.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.92
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.33,2.25],
      "number_observations_unique": 2409,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.57
        },
        {
          "type": "R(meas)",
          "value": 1.88
        },
        {
          "type": "R(pim)",
          "value": 1.01
        },
        {
          "type": "I/SigI",
          "value": 1.80
        },
        {
          "type": "Completeness",
          "value": 80.72
        },
        {
          "type": "Redundancy",
          "value": 3.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.466
        }
      ]
    }
  ]

}
  

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


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