Data quality metrics extracted from 7nqf.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": "f703c6ff6c2403077daf08ae46fc488f",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 77.041,
    "b": 160.362,
    "c": 39.800,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91590],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [80.18,2.02],
    "number_observations_unique": 33089,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.159
      },
      {
        "type": "R(meas)",
        "value": 0.182
      },
      {
        "type": "R(pim)",
        "value": 0.086
      },
      {
        "type": "I/SigI",
        "value": 5.6
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 4.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.06,2.02],
      "number_observations_unique": 1622,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.986
        },
        {
          "type": "R(meas)",
          "value": 2.257
        },
        {
          "type": "R(pim)",
          "value": 1.059
        },
        {
          "type": "I/SigI",
          "value": 0.7
        },
        {
          "type": "Completeness",
          "value": 99.9
        },
        {
          "type": "Redundancy",
          "value": 4.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.321
        }
      ]
    }
  ]

}
  

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


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