Data quality metrics extracted from 6tzs.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": "0a8c463fe5d04852fd8d39669249b00c",
  "space_group_name": "I 41 2 2",
  "unit_cell": {
    "a": 51.52,
    "b": 51.52,
    "c": 111.61,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91870],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.800,2.600],
    "number_observations": 30879,
    "number_observations_unique": 2540,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.170
      },
      {
        "type": "R(meas)",
        "value": 0.182
      },
      {
        "type": "R(pim)",
        "value": 0.058
      },
      {
        "type": "I/SigI",
        "value": 11.500
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 12.200
      },
      {
        "type": "CC(1/2)",
        "value": 0.743
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.720,2.600],
      "number_observations": 3740,
      "number_observations_unique": 294,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.820
        },
        {
          "type": "R(meas)",
          "value": 1.895
        },
        {
          "type": "R(pim)",
          "value": 0.526
        },
        {
          "type": "I/SigI",
          "value": 1.200
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.233
        }
      ]
    }
  ]

}
  

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


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