Data quality metrics extracted from 8q06.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": "fc031492a90489b3e7a228fbc46cb042",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 38.279,
    "b": 134.139,
    "c": 45.498,
    "alpha": 90.00,
    "beta": 114.67,
    "gamma": 90.00
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [34.78,1.9],
    "number_observations_unique": 32714,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.05579
      },
      {
        "type": "R(meas)",
        "value": 0.06032
      },
      {
        "type": "R(pim)",
        "value": 0.02277
      },
      {
        "type": "I/SigI",
        "value": 19.63
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 6.9
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.968,1.9],
      "number_observations_unique": 3242,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6422
        },
        {
          "type": "R(meas)",
          "value": 0.699
        },
        {
          "type": "R(pim)",
          "value": 0.2734
        },
        {
          "type": "Completeness",
          "value": 99.48
        },
        {
          "type": "Redundancy",
          "value": 6.3
        },
        {
          "type": "CC(1/2)",
          "value": 0.919
        }
      ]
    }
  ]

}
  

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


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