Data quality metrics extracted from 3d97.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": "0d4b18dbc302ad0a8d2f6496a284dcbb",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 34.553,
    "b": 37.220,
    "c": 61.058,
    "alpha": 73.40,
    "beta": 73.70,
    "gamma": 89.73
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [55.90,1.50],
    "number_observations_unique": 42526,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.043
      },
      {
        "type": "I/SigI",
        "value": 8.3
      },
      {
        "type": "Completeness",
        "value": 96.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.55,1.50],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.2976
        },
        {
          "type": "I/SigI",
          "value": 2.4
        },
        {
          "type": "Completeness",
          "value": 93.0
        }
      ]
    }
  ]

}
  

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


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