Data quality metrics extracted from 6zll.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": "76bcc5b6fed97b10347bd28cb0badfcd",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 56.787,
    "b": 62.652,
    "c": 105.712,
    "alpha": 91.92,
    "beta": 99.86,
    "gamma": 91.98
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.09,1.85],
    "number_observations_unique": 107680,
    "quality_factors": [
      {
        "type": "I/SigI",
        "value": 8.7
      },
      {
        "type": "Completeness",
        "value": 93
      },
      {
        "type": "Redundancy",
        "value": 6.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.898,1.850],
      "number_observations_unique": 7482,
      "quality_factors": [
        {
          "type": "CC(1/2)",
          "value": 0.46
        }
      ]
    }
  ]

}
  

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


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