Data quality metrics extracted from 9dq3.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": "7f6cdef1f6e58ca6411e4e3ed2108d50",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 84.023,
    "b": 148.359,
    "c": 48.439,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [74.180,1.636],
    "number_observations": 357216,
    "number_observations_unique": 59236,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.210
      },
      {
        "type": "R(meas)",
        "value": 0.230
      },
      {
        "type": "R(pim)",
        "value": 0.093
      },
      {
        "type": "I/SigI",
        "value": 5.1
      },
      {
        "type": "Completeness",
        "value": 78.3
      },
      {
        "type": "Redundancy",
        "value": 6.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.765,1.636],
      "number_observations": 14724,
      "number_observations_unique": 2964,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.637
        },
        {
          "type": "R(meas)",
          "value": 0.710
        },
        {
          "type": "R(pim)",
          "value": 0.308
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Redundancy",
          "value": 5.0
        }
      ]
    }
  ]

}
  

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


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