Data quality metrics extracted from 8q83.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": "c4dced9f01afd9d9527ff2b7a85125ac",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 93.712,
    "b": 102.940,
    "c": 97.476,
    "alpha": 90.000,
    "beta": 90.028,
    "gamma": 90.000
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.515,1.699],
    "number_observations_unique": 200282,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.118
      },
      {
        "type": "R(meas)",
        "value": 0.138
      },
      {
        "type": "R(pim)",
        "value": 0.069
      },
      {
        "type": "I/SigI",
        "value": 6.2
      },
      {
        "type": "Completeness",
        "value": 98.8
      },
      {
        "type": "Redundancy",
        "value": 3.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.993
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.79,1.70],
      "number_observations_unique": 28794,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.784
        },
        {
          "type": "R(meas)",
          "value": 0.917
        },
        {
          "type": "R(pim)",
          "value": 0.468
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "CC(1/2)",
          "value": 0.466
        }
      ]
    }
  ]

}
  

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


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