Data quality metrics extracted from 3c39.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": "bb3f01ad9522df1fe1d1c0928f4e59ab",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 35.616,
    "b": 55.790,
    "c": 93.230,
    "alpha": 79.18,
    "beta": 84.33,
    "gamma": 83.23
  },
  "wavelengths": [0.93300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [91.29,1.85],
    "number_observations_unique": 44499,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.048
      },
      {
        "type": "I/SigI",
        "value": 14.0
      },
      {
        "type": "Completeness",
        "value": 77.1
      },
      {
        "type": "Redundancy",
        "value": 1.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.95,1.85],
      "number_observations_unique": 3309,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.34
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 50.4
        },
        {
          "type": "Redundancy",
          "value": 1.8
        }
      ]
    }
  ]

}
  

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


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