Data quality metrics extracted from 5tc2.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": "d9c729359f9840cd9aac3f23d5cd4b1f",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 25.139,
    "b": 72.618,
    "c": 33.893,
    "alpha": 90.00,
    "beta": 106.39,
    "gamma": 90.00
  },
  "wavelengths": [0.97858],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.31,1.84],
    "number_observations_unique": 10034,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.112
      },
      {
        "type": "R(meas)",
        "value": 0.134
      },
      {
        "type": "R(pim)",
        "value": 0.072
      },
      {
        "type": "I/SigI",
        "value": 6.0
      },
      {
        "type": "Completeness",
        "value": 98.7
      },
      {
        "type": "Redundancy",
        "value": 3.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.88,1.84],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.225
        },
        {
          "type": "R(meas)",
          "value": 1.542
        },
        {
          "type": "R(pim)",
          "value": 0.921
        },
        {
          "type": "I/SigI",
          "value": 0.8
        },
        {
          "type": "Completeness",
          "value": 84.2
        },
        {
          "type": "Redundancy",
          "value": 2.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.58
        }
      ]
    }
  ]

}
  

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


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