Data quality metrics extracted from 1s3y.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": "24fe5d3d34ef60404ad5e1932e7a8385",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 37.359,
    "b": 43.286,
    "c": 61.397,
    "alpha": 90.00,
    "beta": 94.65,
    "gamma": 90.00
  },
  "wavelengths": [1.54180,1.56210,1.73210],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.,2.25],
    "number_observations_unique": 6996,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 73.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.33,2.25],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.177
        },
        {
          "type": "Completeness",
          "value": 76.7
        }
      ]
    }
  ]

}
  

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


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