Data quality metrics extracted from 6u98.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": "f59b05a60a72e6cc64c93f28eda58075",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 66.590,
    "b": 91.065,
    "c": 98.946,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.11583],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [67.01,1.5],
    "number_observations_unique": 48393,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.01707
      },
      {
        "type": "I/SigI",
        "value": 27.52
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 2.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.554,1.5],
      "number_observations_unique": 4736,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1648
        },
        {
          "type": "I/SigI",
          "value": 4.27
        },
        {
          "type": "Completeness",
          "value": 99.75
        },
        {
          "type": "Redundancy",
          "value": 2.0
        }
      ]
    }
  ]

}
  

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


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