Data quality metrics extracted from 1yy3.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": "1aa1b9e785c27693b7cc24d7a5708e26",
  "space_group_name": "P 4 21 2",
  "unit_cell": {
    "a": 101.671,
    "b": 101.671,
    "c": 152.794,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.93930,0.97870,0.97890,0.92050,0.99990,1.00900,0.99190],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [61,2.7],
    "number_observations_unique": 41787,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.053
      },
      {
        "type": "I/SigI",
        "value": 27.9
      },
      {
        "type": "Completeness",
        "value": 99.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.8,2.7],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.33
        },
        {
          "type": "I/SigI",
          "value": 2.6
        },
        {
          "type": "Completeness",
          "value": 99.7
        }
      ]
    }
  ]

}
  

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


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