Data quality metrics extracted from 9dsn.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": "bd0b7dadd95950e592da25ac69c0edf5",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 101.217,
    "b": 139.257,
    "c": 181.625,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.95364],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.75,2.30],
    "number_observations": 1544924,
    "number_observations_unique": 114176,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.108
      },
      {
        "type": "R(meas)",
        "value": 0.113
      },
      {
        "type": "R(pim)",
        "value": 0.031
      },
      {
        "type": "I/SigI",
        "value": 15.7
      },
      {
        "type": "Completeness",
        "value": 99.8
      },
      {
        "type": "Redundancy",
        "value": 13.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.34,2.30],
      "number_observations": 66776,
      "number_observations_unique": 5318,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.590
        },
        {
          "type": "R(meas)",
          "value": 1.656
        },
        {
          "type": "R(pim)",
          "value": 0.454
        },
        {
          "type": "I/SigI",
          "value": 1.7
        },
        {
          "type": "Redundancy",
          "value": 12.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.633
        }
      ]
    }
  ]

}
  

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


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