Data quality metrics extracted from 6td9.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": "d7bf82f228f7c6cdcff37c6b5381aff1",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 53.304,
    "b": 59.317,
    "c": 158.542,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97953],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.0,1.96],
    "number_observations_unique": 36764,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.2238
      },
      {
        "type": "R(meas)",
        "value": 0.225
      },
      {
        "type": "R(pim)",
        "value": 0.02321
      },
      {
        "type": "I/SigI",
        "value": 27.08
      },
      {
        "type": "Completeness",
        "value": 99.41
      },
      {
        "type": "Redundancy",
        "value": 91.0
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.03,1.96],
      "number_observations_unique": 3576,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.739
        },
        {
          "type": "R(meas)",
          "value": 1.763
        },
        {
          "type": "R(pim)",
          "value": 0.2816
        },
        {
          "type": "I/SigI",
          "value": 2.58
        },
        {
          "type": "Completeness",
          "value": 98.10
        },
        {
          "type": "Redundancy",
          "value": 36.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.746
        }
      ]
    }
  ]

}
  

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


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