Data quality metrics extracted from 7i6l.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": "7e5e927336acba67d7c10ec88c488f49",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 73.376,
    "b": 61.179,
    "c": 32.607,
    "alpha": 90.00,
    "beta": 92.62,
    "gamma": 90.00
  },
  "wavelengths": [0.92204],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [46.95,1.24],
    "number_observations": 202547,
    "number_observations_unique": 36840,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.142
      },
      {
        "type": "R(meas)",
        "value": 0.154
      },
      {
        "type": "R(pim)",
        "value": 0.060
      },
      {
        "type": "I/SigI",
        "value": 3.6
      },
      {
        "type": "Completeness",
        "value": 90.3
      },
      {
        "type": "Redundancy",
        "value": 5.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.26,1.24],
      "number_observations": 1756,
      "number_observations_unique": 887,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.256
        },
        {
          "type": "R(meas)",
          "value": 1.705
        },
        {
          "type": "R(pim)",
          "value": 1.140
        },
        {
          "type": "I/SigI",
          "value": 0.1
        },
        {
          "type": "Redundancy",
          "value": 2.0
        },
        {
          "type": "CC(1/2)",
          "value": 0.357
        }
      ]
    }
  ]

}
  

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


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