Data quality metrics extracted from 3cdf.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": "84191d5f9abc07b8206ebf3d6320b075",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 72.959,
    "b": 98.043,
    "c": 73.074,
    "alpha": 90.0,
    "beta": 119.6,
    "gamma": 90.0
  },
  "wavelengths": [1.52410],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.52,1.39],
    "number_observations_unique": 130900,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.043
      },
      {
        "type": "I/SigI",
        "value": 14.5
      },
      {
        "type": "Completeness",
        "value": 73.7
      },
      {
        "type": "Redundancy",
        "value": 3.31
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.44,1.39],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.325
        },
        {
          "type": "I/SigI",
          "value": 1.9
        },
        {
          "type": "Completeness",
          "value": 13.9
        },
        {
          "type": "Redundancy",
          "value": 1.82
        }
      ]
    }
  ]

}
  

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


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