Data quality metrics extracted from 1ott.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": "48f1d8ba13fb418034b8a166ecefeb5f",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 231.614,
    "b": 95.719,
    "c": 169.819,
    "alpha": 90.00,
    "beta": 131.45,
    "gamma": 90.00
  },
  "wavelengths": [1.10000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [35.0,3.0],
    "number_observations_unique": 52212,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.072
      },
      {
        "type": "I/SigI",
        "value": 14.8
      },
      {
        "type": "Completeness",
        "value": 93.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.11,3.0],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.492
        },
        {
          "type": "I/SigI",
          "value": 2.1
        },
        {
          "type": "Completeness",
          "value": 76.2
        }
      ]
    }
  ]

}
  

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


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