Data quality metrics extracted from 6dye.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": "4e81716179763a28ad3e7ae7035ca399",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 32.994,
    "b": 82.687,
    "c": 38.779,
    "alpha": 90.00,
    "beta": 100.39,
    "gamma": 90.00
  },
  "wavelengths": [1.38000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.45,2.25],
    "number_observations_unique": 9680,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.066
      },
      {
        "type": "I/SigI",
        "value": 20.08
      },
      {
        "type": "Completeness",
        "value": 98.7
      },
      {
        "type": "Redundancy",
        "value": 6.35
      },
      {
        "type": "CC(1/2)",
        "value": 0.94
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.331,2.25],
      "number_observations_unique": 902,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.158
        },
        {
          "type": "I/SigI",
          "value": 6.7
        },
        {
          "type": "Completeness",
          "value": 93
        },
        {
          "type": "Redundancy",
          "value": 3.09
        },
        {
          "type": "CC(1/2)",
          "value": 0.869
        }
      ]
    }
  ]

}
  

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


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