Data quality metrics extracted from 7ta7.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": "0b22695f1f2ff00fa393be8387b391b9",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 46.661,
    "b": 96.401,
    "c": 67.404,
    "alpha": 90.000,
    "beta": 103.155,
    "gamma": 90.000
  },
  "wavelengths": [1.54178],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [23.40,2.28],
    "number_observations_unique": 26383,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.09104
      },
      {
        "type": "R(meas)",
        "value": 0.1069
      },
      {
        "type": "R(pim)",
        "value": 0.05554
      },
      {
        "type": "I/SigI",
        "value": 9.62
      },
      {
        "type": "Completeness",
        "value": 99.41
      },
      {
        "type": "Redundancy",
        "value": 3.6
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.36,2.28],
      "number_observations_unique": 2538,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.3705
        },
        {
          "type": "R(meas)",
          "value": 0.443
        },
        {
          "type": "R(pim)",
          "value": 0.2398
        },
        {
          "type": "I/SigI",
          "value": 3.04
        },
        {
          "type": "Completeness",
          "value": 96.14
        },
        {
          "type": "Redundancy",
          "value": 3.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.85
        }
      ]
    }
  ]

}
  

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


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