Data quality metrics extracted from 9hnh.cif.gz by aB_cif2table1 from BUSTER (Global Phasing Ltd.). See also the PDBx/mmCIF dictionary.

Raw JSON data
{
  "mxlims_type": "ReflectionSet",
  "version": "0.2.3",
  "uuid": "dc064aa879aa6501d4f8e46e7a842a1a",
  "space_group_name": "I 41",
  "unit_cell": {
    "a": 74.841,
    "b": 74.841,
    "c": 50.878,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.61995],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [27.96,2.83],
    "number_observations_unique": 3399,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.173
      },
      {
        "type": "R(meas)",
        "value": 0.189
      },
      {
        "type": "R(pim)",
        "value": 0.074
      },
      {
        "type": "I/SigI",
        "value": 7.5
      },
      {
        "type": "Completeness",
        "value": 99.6
      },
      {
        "type": "Redundancy",
        "value": 3.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.989
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.88,2.83],
      "number_observations_unique": 149,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.170
        },
        {
          "type": "R(meas)",
          "value": 2.434
        },
        {
          "type": "R(pim)",
          "value": 1.053
        },
        {
          "type": "I/SigI",
          "value": 0.8
        },
        {
          "type": "Completeness",
          "value": 92.5
        },
        {
          "type": "Redundancy",
          "value": 2.7
        },
        {
          "type": "CC(1/2)",
          "value": 0.628
        }
      ]
    }
  ]

}
  

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


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