Data quality metrics extracted from 1oh3.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": "dad955d5d7e0641b495e21ad135aa85b",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 38.671,
    "b": 56.549,
    "c": 129.770,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.93400],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.631,1.500],
    "number_observations_unique": 42994,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05300
      },
      {
        "type": "I/SigI",
        "value": 16.0000
      },
      {
        "type": "Completeness",
        "value": 92.6
      },
      {
        "type": "Redundancy",
        "value": 3.300
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.58,1.50],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.47100
        },
        {
          "type": "I/SigI",
          "value": 1.800
        },
        {
          "type": "Completeness",
          "value": 68.4
        },
        {
          "type": "Redundancy",
          "value": 1.90
        }
      ]
    }
  ]

}
  

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


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