Data quality metrics extracted from 1ijy.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": "255fbe4d250489e7fec94e0a64cb105f",
  "space_group_name": "P 1 2 1",
  "unit_cell": {
    "a": 55.69,
    "b": 36.37,
    "c": 57.94,
    "alpha": 90.00,
    "beta": 98.82,
    "gamma": 90.00
  },
  "wavelengths": [0.91970],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30,1.35],
    "number_observations_unique": 48062,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.051
      },
      {
        "type": "I/SigI",
        "value": 20.5
      },
      {
        "type": "Completeness",
        "value": 94.8
      },
      {
        "type": "Redundancy",
        "value": 2.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.40,1.35],
      "number_observations_unique": 4993,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.437
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Completeness",
          "value": 99.4
        },
        {
          "type": "Redundancy",
          "value": 2.8
        }
      ]
    }
  ]

}
  

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


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