Data quality metrics extracted from 7gj2.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": "704ef1a186d2556c1655ce336c865133",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 67.24,
    "b": 98.49,
    "c": 102.79,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91199],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [71.123,1.840],
    "number_observations": 291533,
    "number_observations_unique": 43807,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.132
      },
      {
        "type": "R(meas)",
        "value": 0.143
      },
      {
        "type": "R(pim)",
        "value": 0.055
      },
      {
        "type": "I/SigI",
        "value": 9.4
      },
      {
        "type": "Completeness",
        "value": 73.1
      },
      {
        "type": "Redundancy",
        "value": 6.7
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.995,1.840],
      "number_observations": 14092,
      "number_observations_unique": 2191,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.220
        },
        {
          "type": "R(meas)",
          "value": 1.325
        },
        {
          "type": "R(pim)",
          "value": 0.513
        },
        {
          "type": "I/SigI",
          "value": 1.5
        },
        {
          "type": "Redundancy",
          "value": 6.4
        }
      ]
    }
  ]

}
  

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


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