Data quality metrics extracted from 7lrr.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": "f0ebe34ac76e65b4fc735e03a66dc004",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 54.51,
    "b": 61.15,
    "c": 64.17,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.59000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [44.27,1.89],
    "number_observations_unique": 17578,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.8529
      },
      {
        "type": "R(meas)",
        "value": 0.8678
      },
      {
        "type": "R(pim)",
        "value": 0.156
      },
      {
        "type": "I/SigI",
        "value": 14.77
      },
      {
        "type": "Completeness",
        "value": 98.54
      },
      {
        "type": "Redundancy",
        "value": 30.2
      },
      {
        "type": "CC(1/2)",
        "value": 0.883
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.958,1.89],
      "number_observations_unique": 1611,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.9726
        },
        {
          "type": "R(meas)",
          "value": 0.8678
        },
        {
          "type": "R(pim)",
          "value": 0.156
        },
        {
          "type": "I/SigI",
          "value": 3.3
        },
        {
          "type": "Completeness",
          "value": 92.48
        },
        {
          "type": "Redundancy",
          "value": 19.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.417
        }
      ]
    }
  ]

}
  

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


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