Data quality metrics extracted from 9if3.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": "ba4016be41678b89ca0c8acf91e5447e",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 80.073,
    "b": 80.018,
    "c": 223.696,
    "alpha": 90.00,
    "beta": 89.86,
    "gamma": 90.00
  },
  "wavelengths": [0.97627],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [75.56,2.45],
    "number_observations_unique": 103842,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.13
      },
      {
        "type": "I/SigI",
        "value": 7.9
      },
      {
        "type": "Completeness",
        "value": 99.5
      },
      {
        "type": "Redundancy",
        "value": 7.2
      },
      {
        "type": "CC(1/2)",
        "value": 1.00
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.49,2.45],
      "number_observations_unique": 5069,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.37
        },
        {
          "type": "R(pim)",
          "value": 0.23
        },
        {
          "type": "I/SigI",
          "value": 2.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.97
        }
      ]
    }
  ]

}
  

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


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