Data quality metrics extracted from 1dw9.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": "641dac096ef18d0d6544c9861fe29a85",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 76.34,
    "b": 81.03,
    "c": 82.30,
    "alpha": 70.3,
    "beta": 72.2,
    "gamma": 66.4
  },
  "wavelengths": [0.94650,0.97930,0.97950,1.03300,1.07800,1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [20.000,1.650],
    "number_observations_unique": 187107,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.03900
      },
      {
        "type": "I/SigI",
        "value": 26.4000
      },
      {
        "type": "Completeness",
        "value": 94.2
      },
      {
        "type": "Redundancy",
        "value": 2.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.68,1.65],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.19800
        },
        {
          "type": "I/SigI",
          "value": 3.900
        },
        {
          "type": "Completeness",
          "value": 80.6
        },
        {
          "type": "Redundancy",
          "value": 1.70
        }
      ]
    }
  ]

}
  

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


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