Data quality metrics extracted from 1ys6.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": "09f85c52c1e6acd54cb6f229cf5076eb",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 37.222,
    "b": 46.538,
    "c": 65.660,
    "alpha": 100.29,
    "beta": 101.68,
    "gamma": 92.52
  },
  "wavelengths": [0.81000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19,1.77],
    "number_observations_unique": 39823,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.048
      },
      {
        "type": "I/SigI",
        "value": 17.6
      },
      {
        "type": "Completeness",
        "value": 98.3
      },
      {
        "type": "Redundancy",
        "value": 2.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.81,1.77],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.574
        },
        {
          "type": "I/SigI",
          "value": 2
        },
        {
          "type": "Completeness",
          "value": 72
        },
        {
          "type": "Redundancy",
          "value": 2.2
        }
      ]
    }
  ]

}
  

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


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