Data quality metrics extracted from 7nzh.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": "001c9575497acfa4c3cb72bd93b0ba0c",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 97.277,
    "b": 112.244,
    "c": 212.981,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97630],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.12,2.83],
    "number_observations_unique": 27807,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.151
      },
      {
        "type": "R(meas)",
        "value": 0.164
      },
      {
        "type": "R(pim)",
        "value": 0.061
      },
      {
        "type": "I/SigI",
        "value": 14.4
      },
      {
        "type": "Completeness",
        "value": 98.6
      },
      {
        "type": "Redundancy",
        "value": 13.3
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [56.12,8.95],
      "number_observations_unique": 3932,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "R(pim)",
          "value": 0.017
        },
        {
          "type": "Redundancy",
          "value": 11.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [2.98,2.83],
      "number_observations_unique": 971,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.617
        },
        {
          "type": "R(meas)",
          "value": 1.749
        },
        {
          "type": "R(pim)",
          "value": 0.659
        },
        {
          "type": "Redundancy",
          "value": 13.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.612
        }
      ]
    }
  ]

}
  

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


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