Data quality metrics extracted from 9i7b.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": "b99d63862f90fc145de6b3681869b09a",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 78.086,
    "b": 41.835,
    "c": 72.257,
    "alpha": 90.00,
    "beta": 102.21,
    "gamma": 90.00
  },
  "wavelengths": [0.99999],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.19,1.41],
    "number_observations_unique": 40436,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.146
      },
      {
        "type": "R(meas)",
        "value": 0.159
      },
      {
        "type": "R(pim)",
        "value": 0.063
      },
      {
        "type": "I/SigI",
        "value": 11.3
      },
      {
        "type": "Completeness",
        "value": 91.3
      },
      {
        "type": "Redundancy",
        "value": 6.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.49,1.41],
      "number_observations": 30324,
      "number_observations_unique": 5388,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.083
        },
        {
          "type": "R(meas)",
          "value": 2.284
        },
        {
          "type": "R(pim)",
          "value": 0.919
        },
        {
          "type": "I/SigI",
          "value": 1.1
        },
        {
          "type": "Redundancy",
          "value": 5.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.499
        }
      ]
    }
  ]

}
  

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


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