Data quality metrics extracted from 9qqo.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": "40f64121e9a1c0f4bd4f3258bb49cc69",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 134.182,
    "b": 139.490,
    "c": 172.660,
    "alpha": 90.000,
    "beta": 99.838,
    "gamma": 90.000
  },
  "wavelengths": [0.97951],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [139.49,2.50],
    "number_observations_unique": 209766,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.151
      },
      {
        "type": "R(meas)",
        "value": 0.172
      },
      {
        "type": "R(pim)",
        "value": 0.081
      },
      {
        "type": "I/SigI",
        "value": 10.2
      },
      {
        "type": "Completeness",
        "value": 97.1
      },
      {
        "type": "Redundancy",
        "value": 4.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.945
      }
    ]
  }
}
  

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


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