Data quality metrics extracted from 6s9r.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": "4e1b9ce22399b2ffcda1184f81cab85c",
  "space_group_name": "I 4 2 2",
  "unit_cell": {
    "a": 137.503,
    "b": 137.503,
    "c": 53.863,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.06883],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.48,2.4],
    "number_observations_unique": 10414,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.053
      },
      {
        "type": "R(meas)",
        "value": 0.055
      },
      {
        "type": "R(pim)",
        "value": 0.011
      },
      {
        "type": "I/SigI",
        "value": 33.38
      },
      {
        "type": "Completeness",
        "value": 99.53
      },
      {
        "type": "Redundancy",
        "value": 25.4
      },
      {
        "type": "CC(1/2)",
        "value": 1.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.486,2.4],
      "number_observations_unique": 1010,
      "quality_factors": [

      ]
    }
  ]

}
  

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


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