Data quality metrics extracted from 32jh.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": "db87875b7d7248c3e3f173169348cbd5",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 115.017,
    "b": 67.656,
    "c": 55.505,
    "alpha": 90.00,
    "beta": 90.59,
    "gamma": 90.00
  },
  "wavelengths": [0.97860],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.10,2.45],
    "number_observations_unique": 8645,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.186
      },
      {
        "type": "R(meas)",
        "value": 0.211
      },
      {
        "type": "I/SigI",
        "value": 4.58
      },
      {
        "type": "Completeness",
        "value": 54.7
      },
      {
        "type": "Redundancy",
        "value": 4.28
      },
      {
        "type": "CC(1/2)",
        "value": 0.981
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.8,2.45],
      "number_observations_unique": 1080,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.522
        },
        {
          "type": "R(meas)",
          "value": 0.586
        },
        {
          "type": "I/SigI",
          "value": 2.47
        },
        {
          "type": "Completeness",
          "value": 21.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.9242
        }
      ]
    }
  ]

}
  

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


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