Data quality metrics extracted from 6y14.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": "070ff76619b366bcedbf0b9c2d74b906",
  "space_group_name": "P -1",
  "unit_cell": {
    "a": 16.482,
    "b": 26.209,
    "c": 29.909,
    "alpha": 111.28,
    "beta": 92.26,
    "gamma": 101.96
  },
  "wavelengths": [0.80000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [27.700,0.90],
    "number_observations_unique": 29455,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.165
      },
      {
        "type": "R(meas)",
        "value": 0.233
      },
      {
        "type": "R(pim)",
        "value": 0.165
      },
      {
        "type": "I/SigI",
        "value": 4.5
      },
      {
        "type": "Completeness",
        "value": 87.71
      },
      {
        "type": "Redundancy",
        "value": 1.76
      },
      {
        "type": "CC(1/2)",
        "value": 0.925
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [0.92,0.90],
      "number_observations_unique": 1448,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.247
        },
        {
          "type": "R(meas)",
          "value": 0.349
        },
        {
          "type": "R(pim)",
          "value": 0.247
        },
        {
          "type": "I/SigI",
          "value": 2.2
        },
        {
          "type": "Completeness",
          "value": 84.73
        },
        {
          "type": "Redundancy",
          "value": 1.76
        },
        {
          "type": "CC(1/2)",
          "value": 0.886
        }
      ]
    }
  ]

}
  

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


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