Data quality metrics extracted from 6ini.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": "ae53c9b89b47021f87cbcd187eb369e0",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 97.662,
    "b": 97.662,
    "c": 89.626,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.88,1.70],
    "number_observations_unique": 54657,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.084
      },
      {
        "type": "R(meas)",
        "value": 0.088
      },
      {
        "type": "R(pim)",
        "value": 0.027
      },
      {
        "type": "I/SigI",
        "value": 18.9
      },
      {
        "type": "Completeness",
        "value": 100
      },
      {
        "type": "Redundancy",
        "value": 19.1
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.74,1.70],
      "number_observations_unique": 4025,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.139
        },
        {
          "type": "R(meas)",
          "value": 1.201
        },
        {
          "type": "R(pim)",
          "value": 0.380
        }
      ]
    }
  ]

}
  

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


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