Data quality metrics extracted from 7iny.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": "cc85282f46d383f702d587df5d1d3309",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 39.281,
    "b": 179.048,
    "c": 139.373,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.96770],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.760,2.359],
    "number_observations_unique": 15545,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.311
      },
      {
        "type": "I/SigI",
        "value": 4.9
      },
      {
        "type": "Completeness",
        "value": 90.7
      },
      {
        "type": "Redundancy",
        "value": 6.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.986
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.58,2.359],
      "number_observations_unique": 777,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.315
        },
        {
          "type": "Completeness",
          "value": 41.1
        },
        {
          "type": "Redundancy",
          "value": 6.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.703
        }
      ]
    }
  ]

}
  

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


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