Data quality metrics extracted from 1jw5.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": "7d97119451d914e26b5ee3f62ae4b50d",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 37.9,
    "b": 44.6,
    "c": 58.1,
    "alpha": 100.6,
    "beta": 101.0,
    "gamma": 103.7
  },
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [30,2.0],
    "number_observations_unique": 42499,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0410000
      },
      {
        "type": "I/SigI",
        "value": 18
      },
      {
        "type": "Completeness",
        "value": 89
      },
      {
        "type": "Redundancy",
        "value": 1.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.07,2.0],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.0410000
        },
        {
          "type": "Completeness",
          "value": 87.5
        },
        {
          "type": "Redundancy",
          "value": 1.2
        }
      ]
    }
  ]

}
  

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


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