Data quality metrics extracted from 1w45.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": "8932db642ebb011cac41a03841b1f595",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 49.297,
    "b": 59.653,
    "c": 70.788,
    "alpha": 84.42,
    "beta": 83.32,
    "gamma": 74.10
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [54.000,2.500],
    "number_observations_unique": 26449,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08000
      },
      {
        "type": "I/SigI",
        "value": 7.5800
      },
      {
        "type": "Completeness",
        "value": 0.9
      },
      {
        "type": "Redundancy",
        "value": 1.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.62,2.50],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.29000
        },
        {
          "type": "I/SigI",
          "value": 2.040
        },
        {
          "type": "Completeness",
          "value": 0.9
        },
        {
          "type": "Redundancy",
          "value": 1.40
        }
      ]
    }
  ]

}
  

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


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