Data quality metrics extracted from 1d4a.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": "7b850d65aaa9fc4bcd5f5d35bfb795da",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 55.678,
    "b": 57.032,
    "c": 97.402,
    "alpha": 77.04,
    "beta": 76.72,
    "gamma": 86.89
  },
  "wavelengths": [1.10000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.44,1.7],
    "number_observations_unique": 30063,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0730000
      },
      {
        "type": "I/SigI",
        "value": 4.9
      },
      {
        "type": "Completeness",
        "value": 78.8
      },
      {
        "type": "Redundancy",
        "value": 3.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.79,1.70],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.1590000
        },
        {
          "type": "Completeness",
          "value": 24.2
        },
        {
          "type": "Redundancy",
          "value": 1.6
        }
      ]
    }
  ]

}
  

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


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