Data quality metrics extracted from 7lrh.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": "6447f5f5bb9828b4567cb1d7c122a26a",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 54.91,
    "b": 56.70,
    "c": 79.60,
    "alpha": 95.988,
    "beta": 91.249,
    "gamma": 113.164
  },
  "wavelengths": [0.98010],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.36,1.92],
    "number_observations_unique": 65607,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.085
      },
      {
        "type": "R(meas)",
        "value": 0.089
      },
      {
        "type": "R(pim)",
        "value": 0.026
      },
      {
        "type": "I/SigI",
        "value": 12.1
      },
      {
        "type": "Completeness",
        "value": 98.1
      },
      {
        "type": "Redundancy",
        "value": 11.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.97,1.92],
      "number_observations_unique": 4379,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.624
        },
        {
          "type": "R(meas)",
          "value": 2.738
        },
        {
          "type": "R(pim)",
          "value": 0.779
        },
        {
          "type": "I/SigI",
          "value": 1.0
        },
        {
          "type": "Completeness",
          "value": 96.9
        },
        {
          "type": "Redundancy",
          "value": 12.2
        },
        {
          "type": "CC(1/2)",
          "value": 0.528
        }
      ]
    }
  ]

}
  

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


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