Data quality metrics extracted from 7nzj.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": "3a215ae9fcc6a880151c6f8e08df9577",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 42.62,
    "b": 103.68,
    "c": 103.69,
    "alpha": 118.12,
    "beta": 97.91,
    "gamma": 97.84
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.530,1.980],
    "number_observations": 372163,
    "number_observations_unique": 96395,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.072
      },
      {
        "type": "R(meas)",
        "value": 0.083
      },
      {
        "type": "I/SigI",
        "value": 12.470
      },
      {
        "type": "Completeness",
        "value": 91.500
      },
      {
        "type": "Redundancy",
        "value": 3.861
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.000,1.980],
      "number_observations_unique": 2799,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.344
        },
        {
          "type": "R(meas)",
          "value": 1.557
        },
        {
          "type": "I/SigI",
          "value": 1.080
        },
        {
          "type": "Completeness",
          "value": 89.900
        },
        {
          "type": "Redundancy",
          "value": 3.896
        },
        {
          "type": "CC(1/2)",
          "value": 0.548
        }
      ]
    }
  ]

}
  

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


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