Data quality metrics extracted from 38ye.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "fb586f954702eaf5a9cf05fcec3ff1de",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 119.761,
    "b": 218.346,
    "c": 146.020,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97860],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.41,1.76],
    "number_observations": 2570939,
    "number_observations_unique": 188113,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.111
      },
      {
        "type": "R(meas)",
        "value": 0.116
      },
      {
        "type": "R(pim)",
        "value": 0.031
      },
      {
        "type": "I/SigI",
        "value": 16.3
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 13.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.81,1.76],
      "number_observations": 192643,
      "number_observations_unique": 13805,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.623
        },
        {
          "type": "R(meas)",
          "value": 1.685
        },
        {
          "type": "R(pim)",
          "value": 0.449
        },
        {
          "type": "I/SigI",
          "value": 1.7
        },
        {
          "type": "Redundancy",
          "value": 14.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.864
        }
      ]
    }
  ]

}
  

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


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