Data quality metrics extracted from 7et7.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": "03ea0f4869f165e56cfd96301f36a771",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 60.934,
    "b": 62.862,
    "c": 75.600,
    "alpha": 108.031,
    "beta": 103.540,
    "gamma": 104.252
  },
  "wavelengths": [0.95372],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [40.42,2.61],
    "number_observations_unique": 28890,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.106
      },
      {
        "type": "R(meas)",
        "value": 0.149
      },
      {
        "type": "R(pim)",
        "value": 0.106
      },
      {
        "type": "I/SigI",
        "value": 3.3
      },
      {
        "type": "Completeness",
        "value": 97.5
      },
      {
        "type": "Redundancy",
        "value": 2.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.981
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.73,2.61],
      "number_observations_unique": 3396,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.465
        },
        {
          "type": "R(pim)",
          "value": 0.465
        },
        {
          "type": "I/SigI",
          "value": 1.1
        },
        {
          "type": "Completeness",
          "value": 93.1
        },
        {
          "type": "Redundancy",
          "value": 1.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.6
        }
      ]
    }
  ]

}
  

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


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