Data quality metrics extracted from 6yed.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": "cf0f0c12bc0fd5e44bd90d6645ac5a9d",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 76.22,
    "b": 53.45,
    "c": 88.13,
    "alpha": 90.000,
    "beta": 111.593,
    "gamma": 90.000
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.90,2.18],
    "number_observations_unique": 67443,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1565
      },
      {
        "type": "R(meas)",
        "value": 0.1642
      },
      {
        "type": "R(pim)",
        "value": 0.04914
      },
      {
        "type": "I/SigI",
        "value": 13.39
      },
      {
        "type": "Completeness",
        "value": 99.95
      },
      {
        "type": "Redundancy",
        "value": 10.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.258,2.18],
      "number_observations_unique": 3433,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.9698
        },
        {
          "type": "R(meas)",
          "value": 1.023
        },
        {
          "type": "R(pim)",
          "value": 0.3195
        },
        {
          "type": "I/SigI",
          "value": 4.65
        },
        {
          "type": "Completeness",
          "value": 99.91
        },
        {
          "type": "Redundancy",
          "value": 9.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.871
        }
      ]
    }
  ]

}
  

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


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