Data quality metrics extracted from 6phd.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": "0d5ef61e4c01f9f4f5dead9ecc93c3f9",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 156.545,
    "b": 156.545,
    "c": 85.667,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97949],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40,3.1],
    "number_observations_unique": 19905,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.293
      },
      {
        "type": "R(pim)",
        "value": 0.084
      },
      {
        "type": "I/SigI",
        "value": 8.3
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 13.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.986
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.2,3.1],
      "number_observations_unique": 1770,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.792
        },
        {
          "type": "R(pim)",
          "value": 0.23
        },
        {
          "type": "I/SigI",
          "value": 1.7
        },
        {
          "type": "Completeness",
          "value": 100
        },
        {
          "type": "Redundancy",
          "value": 12.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.698
        }
      ]
    }
  ]

}
  

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


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