Data quality metrics extracted from 2xdn.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": "32ef546faaa25a008d0ff7fed89a0638",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 43.111,
    "b": 43.174,
    "c": 114.803,
    "alpha": 96.93,
    "beta": 99.26,
    "gamma": 96.03
  },
  "wavelengths": [0.97450],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [41.70,2.20],
    "number_observations_unique": 37118,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05
      },
      {
        "type": "I/SigI",
        "value": 7.80
      },
      {
        "type": "Completeness",
        "value": 88.0
      },
      {
        "type": "Redundancy",
        "value": 1.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.32,2.20],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.24
        },
        {
          "type": "I/SigI",
          "value": 2.90
        },
        {
          "type": "Completeness",
          "value": 85.8
        },
        {
          "type": "Redundancy",
          "value": 1.8
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 41.700 2.320
High resolution limit [Å] 2.200 2.200
R(merge) 0.0500 0.2400
Completeness [%] 88.0 85.8
Multiplicity 1.8 1.8


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
2.320-2.200 0.2400 85.8 1.8