Data quality metrics extracted from 5ty2.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": "f30884957cd9113b91160f6c54b6946f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 113.850,
    "b": 92.244,
    "c": 78.952,
    "alpha": 90.00,
    "beta": 98.43,
    "gamma": 90.00
  },
  "wavelengths": [1.10460],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.120,1.700],
    "number_observations": 321983,
    "number_observations_unique": 85751,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.057
      },
      {
        "type": "R(meas)",
        "value": 0.066
      },
      {
        "type": "R(pim)",
        "value": 0.034
      },
      {
        "type": "I/SigI",
        "value": 12.900
      },
      {
        "type": "Completeness",
        "value": 96.900
      },
      {
        "type": "Redundancy",
        "value": 3.800
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.730,1.700],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.897
        },
        {
          "type": "Completeness",
          "value": 77.900
        },
        {
          "type": "Redundancy",
          "value": 3.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.621
        }
      ]
    },
    {
      "resolution_limits": [46.120,9.000],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "Redundancy",
          "value": 3.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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


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