Data quality metrics extracted from 7e2w.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": "51c54b9be8e7b5e8b4033d7fddd3b2fb",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 66.250,
    "b": 78.511,
    "c": 111.056,
    "alpha": 89.15,
    "beta": 103.59,
    "gamma": 111.89
  },
  "wavelengths": [0.97915],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20,1.8],
    "number_observations_unique": 177015,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.039
      },
      {
        "type": "I/SigI",
        "value": 14.4
      },
      {
        "type": "Completeness",
        "value": 94.9
      },
      {
        "type": "Redundancy",
        "value": 2.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.90,1.80],
      "number_observations_unique": 26019,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.840
        }
      ]
    }
  ]

}
  

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


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