Data quality metrics extracted from 2aw1.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": "0fa6f3c5c20b851874a12e6517cf033d",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 42.051,
    "b": 41.320,
    "c": 71.765,
    "alpha": 90.00,
    "beta": 104.26,
    "gamma": 90.00
  },
  "wavelengths": [1.20000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.00,1.46],
    "number_observations_unique": 39914,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.073
      },
      {
        "type": "I/SigI",
        "value": 15.0
      },
      {
        "type": "Completeness",
        "value": 96.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.50,1.46],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.244
        },
        {
          "type": "I/SigI",
          "value": 4.9
        },
        {
          "type": "Completeness",
          "value": 91.7
        }
      ]
    }
  ]

}
  

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


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