Data quality metrics extracted from 2r20.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": "4ae09e8b1117a41017a46b12bf06e288",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 25.28,
    "b": 25.80,
    "c": 29.99,
    "alpha": 98.62,
    "beta": 105.58,
    "gamma": 100.92
  },
  "wavelengths": [0.91949,0.91970,0.88558,0.97978],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20,1.3],
    "number_observations_unique": 13060,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 4.9
      },
      {
        "type": "I/SigI",
        "value": 9.1
      },
      {
        "type": "Completeness",
        "value": 91
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.45,1.3],
      "quality_factors": [
        {
          "type": "I/SigI",
          "value": 8.6
        }
      ]
    }
  ]

}
  

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


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