Data quality metrics extracted from 6t3y.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": "1d1f84e239e3c25aa992e7ef4934005c",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 154.153,
    "b": 60.002,
    "c": 51.713,
    "alpha": 90.00,
    "beta": 108.75,
    "gamma": 90.00
  },
  "wavelengths": [0.97800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [26.85,1.7],
    "number_observations_unique": 294236,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.052
      },
      {
        "type": "R(meas)",
        "value": 0.057
      },
      {
        "type": "R(pim)",
        "value": 0.023
      },
      {
        "type": "I/SigI",
        "value": 18.4
      },
      {
        "type": "Completeness",
        "value": 99.75
      },
      {
        "type": "Redundancy",
        "value": 6
      },
      {
        "type": "CC(1/2)",
        "value": 1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.76,1.70],
      "number_observations_unique": 29547,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.71
        },
        {
          "type": "R(meas)",
          "value": 0.78
        },
        {
          "type": "R(pim)",
          "value": 0.31
        },
        {
          "type": "I/SigI",
          "value": 2.3
        },
        {
          "type": "Completeness",
          "value": 99.6
        },
        {
          "type": "Redundancy",
          "value": 6
        },
        {
          "type": "CC(1/2)",
          "value": 0.88
        }
      ]
    }
  ]

}
  

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


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