Data quality metrics extracted from 9aw3.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": "28546c7fc5ce98438f05a7b9a5cd4eca",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 131.964,
    "b": 301.458,
    "c": 142.649,
    "alpha": 90.000,
    "beta": 111.976,
    "gamma": 90.000
  },
  "wavelengths": [1.45800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.84,3.42],
    "number_observations_unique": 136674,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.157
      },
      {
        "type": "R(meas)",
        "value": 0.190
      },
      {
        "type": "R(pim)",
        "value": 0.106
      },
      {
        "type": "I/SigI",
        "value": 7.2
      },
      {
        "type": "Completeness",
        "value": 98.4
      },
      {
        "type": "Redundancy",
        "value": 3.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.990
      }
    ]
  }
}
  

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


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