Data quality metrics extracted from 7wa3.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": "d9fd3d741e6b6fc2ed23197f425c14f4",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 67.697,
    "b": 97.725,
    "c": 105.063,
    "alpha": 90.000,
    "beta": 91.988,
    "gamma": 90.000
  },
  "wavelengths": [0.97915],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [71.54,2.28],
    "number_observations_unique": 61639,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.142
      },
      {
        "type": "I/SigI",
        "value": 8.6
      },
      {
        "type": "Completeness",
        "value": 98.2
      },
      {
        "type": "Redundancy",
        "value": 5.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.992
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.40,2.28],
      "number_observations_unique": 9035,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.591
        },
        {
          "type": "CC(1/2)",
          "value": 0.737
        }
      ]
    }
  ]

}
  

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


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