Data quality metrics extracted from 4qmh.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": "594ab7e38afd060167da8fbfeddb245d",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 31.788,
    "b": 32.613,
    "c": 59.795,
    "alpha": 100.05,
    "beta": 95.23,
    "gamma": 109.95
  },
  "wavelengths": [1.12714,0.97957],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [70,1.65],
    "number_observations_unique": 25054,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.021
      },
      {
        "type": "I/SigI",
        "value": 33
      },
      {
        "type": "Completeness",
        "value": 95.3
      },
      {
        "type": "Redundancy",
        "value": 1.9
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.71,1.65],
      "number_observations_unique": 2355,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.117
        },
        {
          "type": "I/SigI",
          "value": 5.7
        },
        {
          "type": "Completeness",
          "value": 88.9
        },
        {
          "type": "Redundancy",
          "value": 1.6
        }
      ]
    }
  ]

}
  

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


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