Data quality metrics extracted from 8ysi.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": "e13a173249b0d3f71300bccb2503bfa1",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 35.375,
    "b": 46.302,
    "c": 60.792,
    "alpha": 101.796,
    "beta": 106.802,
    "gamma": 95.768
  },
  "wavelengths": [0.99984],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30,1.897],
    "number_observations_unique": 26575,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.038
      },
      {
        "type": "I/SigI",
        "value": 21.865
      },
      {
        "type": "Completeness",
        "value": 94.7
      },
      {
        "type": "Redundancy",
        "value": 2.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.97,1.897],
      "number_observations_unique": 2733,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.983
        }
      ]
    }
  ]

}
  

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


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