Data quality metrics extracted from 3u3h.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": "5837fc73a48d816d9170af7162f72388",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 92.651,
    "b": 98.148,
    "c": 102.597,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97890],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [19.972,0.970],
    "number_observations_unique": 272713,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05500
      },
      {
        "type": "I/SigI",
        "value": 39.5000
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 8.500
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.04,1.00],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.29100
        },
        {
          "type": "I/SigI",
          "value": 6.100
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 6.30
        }
      ]
    }
  ]

}
  

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


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