Data quality metrics extracted from 1ju2.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": "a46876a3203191aeb2e4e0566f094d18",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 56.176,
    "b": 67.494,
    "c": 79.796,
    "alpha": 79.57,
    "beta": 77.78,
    "gamma": 67.19
  },
  "wavelengths": [0.93300],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [23.0,1.45],
    "number_observations_unique": 128976,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.045
      },
      {
        "type": "I/SigI",
        "value": 23.6
      },
      {
        "type": "Completeness",
        "value": 68.3
      },
      {
        "type": "Redundancy",
        "value": 2.45
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.47,1.45],
      "number_observations_unique": 2882,
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Completeness",
          "value": 30.5
        }
      ]
    }
  ]

}
  

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


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