Data quality metrics extracted from 1beb.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": "2488ee8505039f818c3003e0ff0dd5d8",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 37.8,
    "b": 49.5,
    "c": 56.6,
    "alpha": 123.4,
    "beta": 97.3,
    "gamma": 103.7
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [15.0,1.8],
    "number_observations_unique": 25155,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07
      },
      {
        "type": "I/SigI",
        "value": 5.0
      },
      {
        "type": "Completeness",
        "value": 97.0
      },
      {
        "type": "Redundancy",
        "value": 2.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.96,1.8],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.07
        },
        {
          "type": "I/SigI",
        "value": 3.0
        },
        {
          "type": "Completeness",
        "value": 78.0
        },
        {
          "type": "Redundancy",
          "value": 1.2
        }
      ]
    }
  ]

}
  

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


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