Data quality metrics extracted from 1z6d.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": "6cda1260f2f317bb09cd8503619da795",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 100.032,
    "b": 32.692,
    "c": 72.474,
    "alpha": 90.00,
    "beta": 90.59,
    "gamma": 90.00
  },
  "wavelengths": [0.81150],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [60,1.54],
    "number_observations_unique": 32622,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.041
      },
      {
        "type": "I/SigI",
        "value": 18.7
      },
      {
        "type": "Completeness",
        "value": 97.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.58,1.54],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.199
        },
        {
          "type": "I/SigI",
          "value": 7.6
        },
        {
          "type": "Completeness",
          "value": 86
        }
      ]
    }
  ]

}
  

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


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