Data quality metrics extracted from 3b7d.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": "b64627ff72797ae625d635dfccf4b284",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 66.582,
    "b": 97.631,
    "c": 100.970,
    "alpha": 81.85,
    "beta": 89.08,
    "gamma": 77.89
  },
  "wavelengths": [1.11580],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.900,2.400],
    "number_observations_unique": 92349,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 96.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.49,2.40],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.42600
        },
        {
          "type": "I/SigI",
          "value": 1.870
        }
      ]
    }
  ]

}
  

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


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