Data quality metrics extracted from 1qoh.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": "c2c408ef31384be3e71f1b14662feea6",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 113.49,
    "b": 54.51,
    "c": 116.89,
    "alpha": 90.00,
    "beta": 109.12,
    "gamma": 90.00
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.360,2.350],
    "number_observations_unique": 34188,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.08440
      },
      {
        "type": "I/SigI",
        "value": 8.4150
      },
      {
        "type": "Completeness",
        "value": 60.1
      },
      {
        "type": "Redundancy",
        "value": 1.830
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.49,2.35],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.32960
        },
        {
          "type": "I/SigI",
          "value": 0.968
        },
        {
          "type": "Completeness",
          "value": 24.9
        },
        {
          "type": "Redundancy",
          "value": 1.66
        }
      ]
    }
  ]

}
  

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


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