Data quality metrics extracted from 7i2s.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": "c8646bc3e7bfbea3d82f239fdf1ba5e7",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 82.439,
    "b": 116.667,
    "c": 148.814,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.92124],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.92,1.56],
    "number_observations": 1294767,
    "number_observations_unique": 101660,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.104
      },
      {
        "type": "R(meas)",
        "value": 0.108
      },
      {
        "type": "R(pim)",
        "value": 0.030
      },
      {
        "type": "I/SigI",
        "value": 13.0
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 12.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.59,1.56],
      "number_observations": 45998,
      "number_observations_unique": 4937,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.740
        },
        {
          "type": "R(meas)",
          "value": 3.958
        },
        {
          "type": "R(pim)",
          "value": 1.275
        },
        {
          "type": "I/SigI",
          "value": 0.4
        },
        {
          "type": "Redundancy",
          "value": 9.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.386
        }
      ]
    }
  ]

}
  

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


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