Data quality metrics extracted from 2b78.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": "6d8b03588ccfce36d5e31a52090cf9e9",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 168.472,
    "b": 50.659,
    "c": 53.963,
    "alpha": 90.00,
    "beta": 104.22,
    "gamma": 90.00
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.8],
    "number_observations_unique": 52534,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0503
      },
      {
        "type": "I/SigI",
        "value": 11
      },
      {
        "type": "Completeness",
        "value": 94.49
      },
      {
        "type": "Redundancy",
        "value": 4.54
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.91,1.8],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1509
        },
        {
          "type": "I/SigI",
          "value": 2.77
        },
        {
          "type": "Completeness",
          "value": 74.1
        }
      ]
    }
  ]

}
  

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


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