Data quality metrics extracted from 7i6s.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": "c01b982c3680253fdd10e9c77213e267",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 72.436,
    "b": 61.756,
    "c": 65.158,
    "alpha": 90.0,
    "beta": 92.6,
    "gamma": 90.0
  },
  "wavelengths": [0.92205],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [32.54,1.35],
    "number_observations": 377544,
    "number_observations_unique": 62601,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.142
      },
      {
        "type": "R(meas)",
        "value": 0.154
      },
      {
        "type": "R(pim)",
        "value": 0.060
      },
      {
        "type": "I/SigI",
        "value": 5.2
      },
      {
        "type": "Completeness",
        "value": 99.4
      },
      {
        "type": "Redundancy",
        "value": 6.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.37,1.35],
      "number_observations": 9086,
      "number_observations_unique": 2850,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.602
        },
        {
          "type": "R(meas)",
          "value": 1.940
        },
        {
          "type": "R(pim)",
          "value": 1.062
        },
        {
          "type": "I/SigI",
          "value": 0.3
        },
        {
          "type": "Redundancy",
          "value": 3.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.256
        }
      ]
    }
  ]

}
  

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


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