Data quality metrics extracted from 7ayy.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": "00ff24f9e63556f33101db50160c5c75",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 86.025,
    "b": 86.025,
    "c": 427.602,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91590],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [86.03,2.00],
    "number_observations_unique": 110134,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.299
      },
      {
        "type": "R(meas)",
        "value": 0.311
      },
      {
        "type": "R(pim)",
        "value": 0.087
      },
      {
        "type": "I/SigI",
        "value": 8.1
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 24.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.03,2.00],
      "number_observations_unique": 5306,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.65
        },
        {
          "type": "R(meas)",
          "value": 2.79
        },
        {
          "type": "R(pim)",
          "value": 0.886
        },
        {
          "type": "I/SigI",
          "value": 1.2
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 19.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.529
        }
      ]
    }
  ]

}
  

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


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