Data quality metrics extracted from 7im3.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": "80ff24863e7f5334e58c401d14ce62ad",
  "space_group_name": "I 41",
  "unit_cell": {
    "a": 88.440,
    "b": 88.440,
    "c": 40.882,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91261],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.220,1.652],
    "number_observations": 60205,
    "number_observations_unique": 9447,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.078
      },
      {
        "type": "R(meas)",
        "value": 0.085
      },
      {
        "type": "R(pim)",
        "value": 0.034
      },
      {
        "type": "I/SigI",
        "value": 11.3
      },
      {
        "type": "Completeness",
        "value": 49.4
      },
      {
        "type": "Redundancy",
        "value": 6.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.782,1.652],
      "number_observations": 2450,
      "number_observations_unique": 471,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.844
        },
        {
          "type": "R(meas)",
          "value": 0.939
        },
        {
          "type": "R(pim)",
          "value": 0.404
        },
        {
          "type": "I/SigI",
          "value": 1.7
        },
        {
          "type": "Redundancy",
          "value": 5.2
        }
      ]
    }
  ]

}
  

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


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