Data quality metrics extracted from 6ohb.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": "4b95f67a0e5bb2dce27e18d07f360b98",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 66.479,
    "b": 137.583,
    "c": 98.581,
    "alpha": 90.000,
    "beta": 102.161,
    "gamma": 90.000
  },
  "wavelengths": [0.91980],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.99,2.3],
    "number_observations_unique": 73766,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.061
      },
      {
        "type": "I/SigI",
        "value": 8.3
      },
      {
        "type": "Completeness",
        "value": 96.6
      },
      {
        "type": "Redundancy",
        "value": 2.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.989
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.35,2.30],
      "number_observations_unique": 4626,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.550
        },
        {
          "type": "CC(1/2)",
          "value": 0.731
        }
      ]
    }
  ]

}
  

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


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