Data quality metrics extracted from 6tsp.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": "f31fabe3d9f513901d381a65d0d711e3",
  "space_group_name": "P 63 2 2",
  "unit_cell": {
    "a": 121.071,
    "b": 121.071,
    "c": 99.624,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.28242],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.4,1.85],
    "number_observations_unique": 64833,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.066
      },
      {
        "type": "R(meas)",
        "value": 0.073
      },
      {
        "type": "R(pim)",
        "value": 0.031
      },
      {
        "type": "I/SigI",
        "value": 18.2
      },
      {
        "type": "Completeness",
        "value": 88.2
      },
      {
        "type": "Redundancy",
        "value": 4.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.88,1.85],
      "number_observations_unique": 1507,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.437
        },
        {
          "type": "R(meas)",
          "value": 1.767
        },
        {
          "type": "R(pim)",
          "value": 0.986
        },
        {
          "type": "CC(1/2)",
          "value": 0.489
        }
      ]
    }
  ]

}
  

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


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