Data quality metrics extracted from 3e3n.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": "c76cbad19cade2bfa8e7e85e0d22d640",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 119.019,
    "b": 188.079,
    "c": 175.913,
    "alpha": 90.00,
    "beta": 108.92,
    "gamma": 90.00
  },
  "wavelengths": [0.87000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.85,2.7],
    "number_observations_unique": 189160,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.090
      },
      {
        "type": "I/SigI",
        "value": 6.2
      },
      {
        "type": "Completeness",
        "value": 94.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.75,2.7],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.521
        },
        {
          "type": "I/SigI",
          "value": 1.67
        },
        {
          "type": "Completeness",
          "value": 92.2
        }
      ]
    }
  ]

}
  

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


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