Data quality metrics extracted from 7tq0.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": "fcc3fce7f550f67377997a84609c735d",
  "space_group_name": "P 2 21 21",
  "unit_cell": {
    "a": 46.035,
    "b": 74.636,
    "c": 74.880,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97869,0.98062],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.940,1.81],
    "number_observations_unique": 24175,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.134
      },
      {
        "type": "R(meas)",
        "value": 0.145
      },
      {
        "type": "R(pim)",
        "value": 0.054
      },
      {
        "type": "I/SigI",
        "value": 14.5
      },
      {
        "type": "Completeness",
        "value": 99.600
      },
      {
        "type": "Redundancy",
        "value": 13.100
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.85,1.81],
      "number_observations_unique": 1670,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.962
        },
        {
          "type": "R(meas)",
          "value": 2.129
        },
        {
          "type": "R(pim)",
          "value": 0.816
        },
        {
          "type": "Completeness",
          "value": 97.8
        },
        {
          "type": "Redundancy",
          "value": 12.8
        },
        {
          "type": "CC(1/2)",
          "value": 0.797
        }
      ]
    }
  ]

}
  

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


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