Data quality metrics extracted from 1ju6.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": "776032f5c53841428014f1b0c8e07f54",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 68.138,
    "b": 69.633,
    "c": 73.958,
    "alpha": 71.67,
    "beta": 85.72,
    "gamma": 75.11
  },
  "wavelengths": [1.54178],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [23,2.8],
    "number_observations_unique": 24659,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1380000
      },
      {
        "type": "I/SigI",
        "value": 7.4
      },
      {
        "type": "Completeness",
        "value": 88
      },
      {
        "type": "Redundancy",
        "value": 1.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.88,2.8],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3330000
        },
        {
          "type": "I/SigI",
          "value": 2.0
        },
        {
          "type": "Completeness",
          "value": 74
        }
      ]
    }
  ]

}
  

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


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