Data quality metrics extracted from 6t5b.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": "2f627047a8984972091f0303a62321d7",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 32.973,
    "b": 36.569,
    "c": 37.129,
    "alpha": 65.49,
    "beta": 74.17,
    "gamma": 77.61
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [33,1.37],
    "number_observations_unique": 19371,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.028
      },
      {
        "type": "I/SigI",
        "value": 12.1
      },
      {
        "type": "Completeness",
        "value": 61
      },
      {
        "type": "Redundancy",
        "value": 1.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.4,1.37],
      "number_observations_unique": 97,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        }
      ]
    }
  ]

}
  

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


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