Data quality metrics extracted from 7ppt.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": "94da6f33a8b2399f51c54fa79629fb26",
  "space_group_name": "P 63",
  "unit_cell": {
    "a": 72.032,
    "b": 72.032,
    "c": 98.044,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.545,1.42],
    "number_observations_unique": 107347,
    "quality_factors": [
      {
        "type": "R(meas)",
        "value": 0.143
      },
      {
        "type": "R(pim)",
        "value": 0.041
      },
      {
        "type": "I/SigI",
        "value": 7.3
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 6.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.51,1.42],
      "number_observations_unique": 17278,
      "quality_factors": [
        {
          "type": "R(meas)",
          "value": 0.974
        },
        {
          "type": "R(pim)",
          "value": 0.303
        },
        {
          "type": "I/SigI",
          "value": 1.1
        },
        {
          "type": "Completeness",
          "value": 99.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.64
        }
      ]
    }
  ]

}
  

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


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