Data quality metrics extracted from 9nmy.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": "9c99dbc724ccb4ccae87e183c7d96c5e",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 225.225,
    "b": 46.065,
    "c": 91.339,
    "alpha": 90.000,
    "beta": 94.803,
    "gamma": 90.000
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.66,2.01],
    "number_observations_unique": 60407,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07702
      },
      {
        "type": "R(meas)",
        "value": 0.09109
      },
      {
        "type": "R(pim)",
        "value": 0.04804
      },
      {
        "type": "I/SigI",
        "value": 9.73
      },
      {
        "type": "Completeness",
        "value": 96.06
      },
      {
        "type": "Redundancy",
        "value": 3.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.06,2.01],
      "number_observations_unique": 4302,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.668
        },
        {
          "type": "R(meas)",
          "value": 1.57
        },
        {
          "type": "R(pim)",
          "value": 1.015
        },
        {
          "type": "I/SigI",
          "value": 0.66
        },
        {
          "type": "Completeness",
          "value": 97.68
        },
        {
          "type": "Redundancy",
          "value": 3.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.371
        }
      ]
    }
  ]

}
  

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


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