Data quality metrics extracted from 7gjf.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": "7d5918165c108c128229567ce2c8e354",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 67.41,
    "b": 98.63,
    "c": 102.83,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91199],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [71.190,1.850],
    "number_observations": 240999,
    "number_observations_unique": 36347,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.159
      },
      {
        "type": "R(meas)",
        "value": 0.172
      },
      {
        "type": "R(pim)",
        "value": 0.066
      },
      {
        "type": "I/SigI",
        "value": 8.2
      },
      {
        "type": "Completeness",
        "value": 61.4
      },
      {
        "type": "Redundancy",
        "value": 6.6
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.075,1.850],
      "number_observations": 11758,
      "number_observations_unique": 1817,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.202
        },
        {
          "type": "R(meas)",
          "value": 1.307
        },
        {
          "type": "R(pim)",
          "value": 0.510
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Redundancy",
          "value": 6.5
        }
      ]
    }
  ]

}
  

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


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