Data quality metrics extracted from 9taq.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": "6210fe0c688dff744095bba0c51acbcb",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 39.79,
    "b": 40.00,
    "c": 87.41,
    "alpha": 94.48,
    "beta": 97.94,
    "gamma": 110.75
  },
  "wavelengths": [0.97620],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30,1.4],
    "number_observations_unique": 90893,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.069
      },
      {
        "type": "I/SigI",
        "value": 7.47
      },
      {
        "type": "Completeness",
        "value": 93.3
      },
      {
        "type": "Redundancy",
        "value": 3.45
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.5,1.4],
      "number_observations_unique": 17188,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.624
        },
        {
          "type": "I/SigI",
          "value": 1.66
        },
        {
          "type": "Completeness",
          "value": 94.4
        },
        {
          "type": "Redundancy",
          "value": 3.62
        }
      ]
    }
  ]

}
  

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


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