Data quality metrics extracted from 3glj.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": "4f24af905573d370ba654833ec6736de",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 49.59,
    "b": 49.97,
    "c": 50.63,
    "alpha": 109.94,
    "beta": 104.50,
    "gamma": 96.19
  },
  "wavelengths": [0.81230],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30,1.880],
    "number_observations_unique": 33758,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.050
      },
      {
        "type": "Completeness",
        "value": 96.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.93,1.89],
      "number_observations": 7109,
      "number_observations_unique": 2316,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.222
        },
        {
          "type": "I/SigI",
          "value": 5.2
        },
        {
          "type": "Completeness",
          "value": 88.30
        }
      ]
    }
  ]

}
  

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


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