Data quality metrics extracted from 6p4y.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": "f976efc21361286776530189ff17fafd",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 37.372,
    "b": 78.496,
    "c": 69.480,
    "alpha": 90.00,
    "beta": 96.23,
    "gamma": 90.00
  },
  "wavelengths": [1.03317],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.248,1.7990],
    "number_observations_unique": 36735,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1257
      },
      {
        "type": "R(meas)",
        "value": 0.1495
      },
      {
        "type": "R(pim)",
        "value": 0.08014
      },
      {
        "type": "I/SigI",
        "value": 8.33
      },
      {
        "type": "Completeness",
        "value": 99.1
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.9,1.7990],
      "number_observations_unique": 3613,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.418
        },
        {
          "type": "R(meas)",
          "value": 1.418
        },
        {
          "type": "R(pim)",
          "value": 0.9215
        },
        {
          "type": "I/SigI",
          "value": 0.96
        },
        {
          "type": "Completeness",
          "value": 96.46
        },
        {
          "type": "Redundancy",
          "value": 3.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.42
        }
      ]
    }
  ]

}
  

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


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