Data quality metrics extracted from 3daq.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": "958f5eef19d4be30096d409d46c63646",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 65.410,
    "b": 67.573,
    "c": 77.998,
    "alpha": 90.13,
    "beta": 68.85,
    "gamma": 72.29
  },
  "wavelengths": [0.95360],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.25,1.45],
    "number_observations_unique": 190869,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.057
      },
      {
        "type": "I/SigI",
        "value": 18.8
      },
      {
        "type": "Completeness",
        "value": 91.4
      },
      {
        "type": "Redundancy",
        "value": 3.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.53,1.45],
      "number_observations_unique": 21900,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.147
        },
        {
          "type": "I/SigI",
          "value": 8.4
        },
        {
          "type": "Completeness",
          "value": 71.9
        },
        {
          "type": "Redundancy",
          "value": 3.9
        }
      ]
    }
  ]

}
  

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


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