Data quality metrics extracted from 9gr7.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": "87fa43f1d31f716d94713eedbea15a39",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 49.963,
    "b": 78.370,
    "c": 83.818,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.68880],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.11,1.04],
    "number_observations_unique": 305456,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05481
      },
      {
        "type": "R(meas)",
        "value": 0.05712
      },
      {
        "type": "R(pim)",
        "value": 0.01592
      },
      {
        "type": "I/SigI",
        "value": 18.22
      },
      {
        "type": "Completeness",
        "value": 99.98
      },
      {
        "type": "Redundancy",
        "value": 13.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.077,1.04],
      "number_observations_unique": 15631,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.249
        },
        {
          "type": "R(pim)",
          "value": 0.3627
        },
        {
          "type": "I/SigI",
          "value": 1.71
        },
        {
          "type": "CC(1/2)",
          "value": 0.78
        }
      ]
    }
  ]

}
  

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


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