Data quality metrics extracted from 9hnc.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": "77b5f5c771bcdd9f6168341bfae43951",
  "space_group_name": "P 1 2 1",
  "unit_cell": {
    "a": 123.764,
    "b": 123.645,
    "c": 187.679,
    "alpha": 90.000,
    "beta": 90.063,
    "gamma": 90.000
  },
  "wavelengths": [0.72931],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.69,1.879],
    "number_observations_unique": 451021,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.083
      },
      {
        "type": "R(meas)",
        "value": 0.074
      },
      {
        "type": "I/SigI",
        "value": 13.43
      },
      {
        "type": "Completeness",
        "value": 98.7
      },
      {
        "type": "Redundancy",
        "value": 6.93
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.99,1.879],
      "number_observations_unique": 73624,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.813
        },
        {
          "type": "R(meas)",
          "value": 0.774
        },
        {
          "type": "I/SigI",
          "value": 2.10
        },
        {
          "type": "CC(1/2)",
          "value": 0.980
        }
      ]
    }
  ]

}
  

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


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