Data quality metrics extracted from 14ya.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "0dab96a476d0a482227f8f9cef9efa4e",
  "space_group_name": "P 65",
  "unit_cell": {
    "a": 88.78,
    "b": 88.78,
    "c": 179.02,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.92019],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.390,1.936],
    "number_observations": 788643,
    "number_observations_unique": 59231,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.184
      },
      {
        "type": "R(meas)",
        "value": 0.192
      },
      {
        "type": "R(pim)",
        "value": 0.053
      },
      {
        "type": "I/SigI",
        "value": 10.4
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 13.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.970,1.936],
      "number_observations": 39885,
      "number_observations_unique": 2979,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.018
        },
        {
          "type": "R(meas)",
          "value": 2.098
        },
        {
          "type": "R(pim)",
          "value": 0.569
        },
        {
          "type": "Redundancy",
          "value": 13.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.388
        }
      ]
    }
  ]

}
  

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


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