Data quality metrics extracted from 9ssh.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": "39bafd5ba734d9e7b0566605d284f06d",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 96.062,
    "b": 148.577,
    "c": 98.589,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.96546],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.02,1.792],
    "number_observations_unique": 65637,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.091
      },
      {
        "type": "I/SigI",
        "value": 9.15
      },
      {
        "type": "Completeness",
        "value": 98.6
      },
      {
        "type": "Redundancy",
        "value": 4.67
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.90,1.792],
      "number_observations_unique": 10192,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.34
        },
        {
          "type": "I/SigI",
          "value": 0.54
        },
        {
          "type": "Completeness",
          "value": 94.7
        },
        {
          "type": "Redundancy",
          "value": 4.77
        },
        {
          "type": "CC(1/2)",
          "value": 0.210
        }
      ]
    }
  ]

}
  

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


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