Data quality metrics extracted from 3zll.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": "b4ddf5e192b7360ab2c2ad1c4d2b885b",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 64.09,
    "b": 154.11,
    "c": 134.67,
    "alpha": 90.00,
    "beta": 92.49,
    "gamma": 90.00
  },
  "wavelengths": [0.91700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.30,1.96],
    "number_observations_unique": 88442,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05
      },
      {
        "type": "I/SigI",
        "value": 18.50
      },
      {
        "type": "Completeness",
        "value": 94.4
      },
      {
        "type": "Redundancy",
        "value": 7.2
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.01,1.96],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.68
        },
        {
          "type": "I/SigI",
          "value": 2.70
        },
        {
          "type": "Completeness",
          "value": 91.6
        },
        {
          "type": "Redundancy",
          "value": 7.1
        }
      ]
    }
  ]

}
  

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


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