Data quality metrics extracted from 9n4b.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": "d23cc5d50027bffa7e94d530cdc86b69",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 59.988,
    "b": 59.988,
    "c": 150.756,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.41,3.0],
    "number_observations_unique": 13211,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05431
      },
      {
        "type": "R(meas)",
        "value": 0.0768
      },
      {
        "type": "I/SigI",
        "value": 10.82
      },
      {
        "type": "Completeness",
        "value": 94.37
      },
      {
        "type": "Redundancy",
        "value": 1.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.107,3.0],
      "number_observations_unique": 1150,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2365
        },
        {
          "type": "I/SigI",
          "value": 2.41
        },
        {
          "type": "Completeness",
          "value": 86.61
        },
        {
          "type": "Redundancy",
          "value": 1.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.95
        }
      ]
    }
  ]

}
  

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


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