Data quality metrics extracted from 1o0m.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": "e984ce22bc3a060404a4bfd4a922484a",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 99.762,
    "b": 32.738,
    "c": 72.354,
    "alpha": 90.00,
    "beta": 90.25,
    "gamma": 90.00
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30,1.5],
    "number_observations_unique": 37206,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.052
      },
      {
        "type": "I/SigI",
        "value": 14.1
      },
      {
        "type": "Completeness",
        "value": 98.3
      },
      {
        "type": "Redundancy",
        "value": 7.5
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.55,1.50],
      "number_observations_unique": 3586,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.39
        },
        {
          "type": "Completeness",
          "value": 95.6
        }
      ]
    }
  ]

}
  

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


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