Data quality metrics extracted from 6a17.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": "cfe05b73398ea52479f23852fccc117d",
  "space_group_name": "P 61 2 2",
  "unit_cell": {
    "a": 58.857,
    "b": 58.857,
    "c": 539.215,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.04,2.301],
    "number_observations_unique": 25669,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0789
      },
      {
        "type": "R(meas)",
        "value": 0.08368
      },
      {
        "type": "I/SigI",
        "value": 19.21
      },
      {
        "type": "Completeness",
        "value": 97.24
      },
      {
        "type": "Redundancy",
        "value": 8.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.384,2.301],
      "number_observations_unique": 1841,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3575
        },
        {
          "type": "R(meas)",
          "value": 0.4563
        },
        {
          "type": "I/SigI",
          "value": 1.75
        },
        {
          "type": "Completeness",
          "value": 72.28
        },
        {
          "type": "Redundancy",
          "value": 1.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.918
        }
      ]
    }
  ]

}
  

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


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