Data quality metrics extracted from 45iy.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": "c4fb34ab6d30fda4efb46891c68e710c",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 71.495,
    "b": 74.281,
    "c": 102.018,
    "alpha": 89.965,
    "beta": 89.984,
    "gamma": 90.195
  },
  "wavelengths": [0.97625],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [102.018,2.303],
    "number_observations_unique": 34906,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.526
      },
      {
        "type": "R(meas)",
        "value": 0.619
      },
      {
        "type": "R(pim)",
        "value": 0.322
      },
      {
        "type": "I/SigI",
        "value": 2.3
      },
      {
        "type": "Completeness",
        "value": 37.59
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.491
      }
    ]
  }
}
  

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


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