Data quality metrics extracted from 9q66.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": "c369c97ca386ddb82b173fc957ff58b1",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 105.853,
    "b": 67.294,
    "c": 158.019,
    "alpha": 90.000,
    "beta": 99.109,
    "gamma": 90.000
  },
  "wavelengths": [0.91976],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.0,2.01],
    "number_observations_unique": 106903,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.273
      },
      {
        "type": "R(meas)",
        "value": 0.294
      },
      {
        "type": "R(pim)",
        "value": 0.11
      },
      {
        "type": "I/SigI",
        "value": 5.9
      },
      {
        "type": "Completeness",
        "value": 93.4
      },
      {
        "type": "Redundancy",
        "value": 7.1
      },
      {
        "type": "CC(1/2)",
        "value": 0.99
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.22,2.01],
      "number_observations_unique": 5345,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.53
        },
        {
          "type": "R(meas)",
          "value": 1.643
        },
        {
          "type": "R(pim)",
          "value": 0.596
        },
        {
          "type": "Completeness",
          "value": 54.6
        },
        {
          "type": "Redundancy",
          "value": 7.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.33
        }
      ]
    }
  ]

}
  

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


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