Data quality metrics extracted from 5ych.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": "7b544ab43c9c9e85ca0ecda0f8faaeff",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 34.37,
    "b": 30.43,
    "c": 63.33,
    "alpha": 90.00,
    "beta": 105.81,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [22.40,1.35],
    "number_observations_unique": 26897,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.013
      },
      {
        "type": "I/SigI",
        "value": 41.2
      },
      {
        "type": "Completeness",
        "value": 97.3
      },
      {
        "type": "Redundancy",
        "value": 3.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.43,1.35],
      "number_observations_unique": 3828,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 18.6
        },
        {
          "type": "Completeness",
          "value": 95.4
        },
        {
          "type": "Redundancy",
          "value": 3.9
        }
      ]
    }
  ]

}
  

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


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