Data quality metrics extracted from 8znm.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": "f750e0f85afab9aa20b79cf22fe4262f",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 75.618,
    "b": 81.849,
    "c": 94.141,
    "alpha": 64.76,
    "beta": 88.28,
    "gamma": 88.24
  },
  "wavelengths": [0.97915],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.64,2.21],
    "number_observations_unique": 98869,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05923
      },
      {
        "type": "R(meas)",
        "value": 0.07038
      },
      {
        "type": "R(pim)",
        "value": 0.03748
      },
      {
        "type": "I/SigI",
        "value": 7.54
      },
      {
        "type": "Completeness",
        "value": 96.75
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.289,2.21],
      "number_observations_unique": 9933,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.4958
        },
        {
          "type": "R(meas)",
          "value": 0.5928
        },
        {
          "type": "R(pim)",
          "value": 0.32
        },
        {
          "type": "Completeness",
          "value": 97.15
        },
        {
          "type": "Redundancy",
          "value": 3.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.79
        }
      ]
    }
  ]

}
  

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


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