Data quality metrics extracted from 4mbp.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": "9b57fd7af72e594d5af22de452e7d981",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 106.68,
    "b": 68.38,
    "c": 58.44,
    "alpha": 90.0,
    "beta": 112.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [10.,1.76],
    "number_observations_unique": 31236,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0992000
      },
      {
        "type": "I/SigI",
        "value": 18.026
      },
      {
        "type": "Completeness",
        "value": 80.0
      },
      {
        "type": "Redundancy",
        "value": 3.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.89,1.76],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1350000
        },
        {
          "type": "I/SigI",
          "value": 1.57
        },
        {
          "type": "Completeness",
        "value": 44.0
        },
        {
          "type": "Redundancy",
          "value": 1.41
        }
      ]
    }
  ]

}
  

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


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