Data quality metrics extracted from 7i6m.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": "2df72a370d0fdb65259e39cc3007e2cd",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 72.553,
    "b": 61.568,
    "c": 65.379,
    "alpha": 90.00,
    "beta": 92.74,
    "gamma": 90.00
  },
  "wavelengths": [0.92204],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [65.30,1.44],
    "number_observations": 333875,
    "number_observations_unique": 52039,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.120
      },
      {
        "type": "R(meas)",
        "value": 0.131
      },
      {
        "type": "R(pim)",
        "value": 0.051
      },
      {
        "type": "I/SigI",
        "value": 8.5
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 6.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.52,1.44],
      "number_observations": 36710,
      "number_observations_unique": 7550,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.484
        },
        {
          "type": "R(meas)",
          "value": 1.664
        },
        {
          "type": "R(pim)",
          "value": 0.736
        },
        {
          "type": "I/SigI",
          "value": 1.1
        },
        {
          "type": "Redundancy",
          "value": 4.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.430
        }
      ]
    }
  ]

}
  

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


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