Data quality metrics extracted from 6iye.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": "47d9042b7b06868fae080bc9c6b88858",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 33.795,
    "b": 65.849,
    "c": 75.746,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.96600],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.90,1.55],
    "number_observations_unique": 25090,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.11
      },
      {
        "type": "R(meas)",
        "value": 0.138
      },
      {
        "type": "R(pim)",
        "value": 0.068
      },
      {
        "type": "I/SigI",
        "value": 5.9
      },
      {
        "type": "Completeness",
        "value": 92.08
      },
      {
        "type": "Redundancy",
        "value": 3.78
      },
      {
        "type": "CC(1/2)",
        "value": 0.987
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.58,1.55],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.56
        },
        {
          "type": "R(meas)",
          "value": 0.66
        },
        {
          "type": "R(pim)",
          "value": 0.33
        },
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.692
        }
      ]
    }
  ]

}
  

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


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