Data quality metrics extracted from 1uix.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": "444bbc8a55fb883261c5d7809adc4ab6",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 148.0,
    "b": 26.1,
    "c": 39.6,
    "alpha": 90.0,
    "beta": 90.4,
    "gamma": 90.0
  },
  "wavelengths": [0.97840,0.97780,0.96000,1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.53,1.80],
    "number_observations_unique": 12896,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.045
      },
      {
        "type": "I/SigI",
        "value": 18.2
      },
      {
        "type": "Completeness",
        "value": 89.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.86,1.8],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "I/SigI",
          "value": 14.8
        },
        {
          "type": "Completeness",
          "value": 68.4
        }
      ]
    }
  ]

}
  

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


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