Data quality metrics extracted from 7i88.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "3dbba79a3eb6e17415089a11099d8ad1",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 58.650,
    "b": 45.981,
    "c": 63.541,
    "alpha": 90.0,
    "beta": 111.5,
    "gamma": 90.0
  },
  "wavelengths": [0.96860],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [54.57,1.96],
    "number_observations": 149860,
    "number_observations_unique": 23027,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.170
      },
      {
        "type": "R(meas)",
        "value": 0.186
      },
      {
        "type": "R(pim)",
        "value": 0.073
      },
      {
        "type": "I/SigI",
        "value": 7.6
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 6.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.991
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.06,1.96],
      "number_observations": 21768,
      "number_observations_unique": 3337,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.183
        },
        {
          "type": "R(meas)",
          "value": 1.288
        },
        {
          "type": "R(pim)",
          "value": 0.505
        },
        {
          "type": "I/SigI",
          "value": 2.4
        },
        {
          "type": "Redundancy",
          "value": 6.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.558
        }
      ]
    }
  ]

}
  

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


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