Data quality metrics extracted from 7bru.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": "785bdf50de9e18b82f2bd3a0b4ce852b",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 137.418,
    "b": 137.418,
    "c": 67.444,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.131,2.149],
    "number_observations_unique": 35698,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.07233
      },
      {
        "type": "R(meas)",
        "value": 0.07533
      },
      {
        "type": "R(pim)",
        "value": 0.02083
      },
      {
        "type": "I/SigI",
        "value": 20.14
      },
      {
        "type": "Completeness",
        "value": 99.87
      },
      {
        "type": "Redundancy",
        "value": 13.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.226,2.149],
      "number_observations_unique": 3473,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.8381
        },
        {
          "type": "R(meas)",
          "value": 0.8711
        },
        {
          "type": "R(pim)",
          "value": 0.2356
        },
        {
          "type": "I/SigI",
          "value": 2.43
        },
        {
          "type": "Completeness",
          "value": 99.28
        },
        {
          "type": "Redundancy",
          "value": 13.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.935
        }
      ]
    }
  ]

}
  

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


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