Data quality metrics extracted from 2i16.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": "3c3dfd67de468a041eeda2b1729b0a19",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 49.173,
    "b": 66.671,
    "c": 47.297,
    "alpha": 90.00,
    "beta": 92.26,
    "gamma": 90.00
  },
  "wavelengths": [0.63500],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,0.81],
    "number_observations_unique": 263010,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.053
      },
      {
        "type": "I/SigI",
        "value": 15.2
      },
      {
        "type": "Completeness",
        "value": 95.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [0.84,0.81],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.204
        },
        {
          "type": "I/SigI",
          "value": 5.1
        },
        {
          "type": "Completeness",
          "value": 93.9
        }
      ]
    }
  ]

}
  

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


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