Data quality metrics extracted from 6td7.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": "102d1f69176a95ee77a6b614c010368d",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 31.04,
    "b": 42.62,
    "c": 90.26,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.73900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [38.54,1.75],
    "number_observations_unique": 11933,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09463
      },
      {
        "type": "R(meas)",
        "value": 0.09552
      },
      {
        "type": "R(pim)",
        "value": 0.01261
      },
      {
        "type": "I/SigI",
        "value": 38.39
      },
      {
        "type": "Completeness",
        "value": 94.26
      },
      {
        "type": "Redundancy",
        "value": 49.8
      },
      {
        "type": "CC(1/2)",
        "value": 1.00
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.813,1.75],
      "number_observations_unique": 4429,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.5662
        },
        {
          "type": "R(meas)",
          "value": 0.6174
        },
        {
          "type": "R(pim)",
          "value": 0.2366
        },
        {
          "type": "I/SigI",
          "value": 2.64
        },
        {
          "type": "Completeness",
          "value": 58.37
        },
        {
          "type": "Redundancy",
          "value": 6.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.830
        }
      ]
    }
  ]

}
  

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


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