Data quality metrics extracted from 7h2t.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": "a26dc86123fa3c32cc6c1f6e400cf987",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 85.798,
    "b": 56.951,
    "c": 32.359,
    "alpha": 90.00,
    "beta": 94.94,
    "gamma": 90.00
  },
  "wavelengths": [0.94055],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.42,1.25],
    "number_observations": 286987,
    "number_observations_unique": 42669,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.076
      },
      {
        "type": "R(meas)",
        "value": 0.083
      },
      {
        "type": "R(pim)",
        "value": 0.033
      },
      {
        "type": "I/SigI",
        "value": 15.5
      },
      {
        "type": "Completeness",
        "value": 99.3
      },
      {
        "type": "Redundancy",
        "value": 6.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.983
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.27,1.25],
      "number_observations": 13856,
      "number_observations_unique": 2126,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.726
        },
        {
          "type": "R(meas)",
          "value": 4.070
        },
        {
          "type": "R(pim)",
          "value": 1.609
        },
        {
          "type": "I/SigI",
          "value": 0.5
        },
        {
          "type": "Redundancy",
          "value": 6.5
        },
        {
          "type": "CC(1/2)",
          "value": 0.517
        }
      ]
    }
  ]

}
  

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


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