Data quality metrics extracted from 7z6e.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": "d0692cdcffe1c2613f675ead06dda245",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 69.142,
    "b": 97.467,
    "c": 131.413,
    "alpha": 81.380,
    "beta": 77.766,
    "gamma": 80.394
  },
  "wavelengths": [0.97620],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.6,2.14],
    "number_observations_unique": 171288,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.122
      },
      {
        "type": "R(pim)",
        "value": 0.079
      },
      {
        "type": "I/SigI",
        "value": 6.92
      },
      {
        "type": "Completeness",
        "value": 94.0
      },
      {
        "type": "Redundancy",
        "value": 3.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.22,2.14],
      "number_observations_unique": 16283,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.167
        },
        {
          "type": "R(pim)",
          "value": 0.7611
        },
        {
          "type": "I/SigI",
          "value": 1.05
        },
        {
          "type": "Completeness",
          "value": 89.6
        },
        {
          "type": "Redundancy",
          "value": 3.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.427
        }
      ]
    }
  ]

}
  

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


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