Data quality metrics extracted from 2h29.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": "22284df5f24f31858e4c0d06ce103f74",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 118.217,
    "b": 81.972,
    "c": 61.942,
    "alpha": 90.00,
    "beta": 116.39,
    "gamma": 90.00
  },
  "wavelengths": [1.54200],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30,2.0],
    "number_observations_unique": 31473,
    "quality_factors": [
      {
        "type": "Completeness",
        "value": 87.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.07,2.0],
      "number_observations_unique": 102150,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1999
        },
        {
          "type": "I/SigI",
          "value": 4.6
        },
        {
          "type": "Completeness",
          "value": 44.3
        }
      ]
    }
  ]

}
  

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


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