Data quality metrics extracted from 1soo.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": "060b0fb21044fc74ab79d516f90e909e",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 70.5,
    "b": 70.5,
    "c": 198.8,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30.0,2.6],
    "number_observations_unique": 15433,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1100000
      },
      {
        "type": "Completeness",
        "value": 95.1
      },
      {
        "type": "Redundancy",
        "value": 2.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.70,2.60],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3440000
        },
        {
          "type": "Completeness",
          "value": 85.1
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 30.000 2.700
High resolution limit [Å] 2.600 2.600
R(merge) 0.1100 0.3440
Completeness [%] 95.1 85.1
Multiplicity 2.5 -


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

Resolution [Å] R(merge) Completeness [%]
2.700-2.600 0.3440 85.1