Data quality metrics extracted from 8juh.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": "7722710715ca4bd109fc0108e1b72d67",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 60.210,
    "b": 77.753,
    "c": 61.346,
    "alpha": 90.00,
    "beta": 112.25,
    "gamma": 90.00
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [77.75,2.21],
    "number_observations": 172092,
    "number_observations_unique": 26361,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.693
      },
      {
        "type": "R(meas)",
        "value": 0.758
      },
      {
        "type": "R(pim)",
        "value": 0.301
      },
      {
        "type": "I/SigI",
        "value": 4.1
      },
      {
        "type": "Completeness",
        "value": 100.0
      },
      {
        "type": "Redundancy",
        "value": 6.5
      },
      {
        "type": "CC(1/2)",
        "value": 0.708
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.27,2.21],
      "number_observations": 12384,
      "number_observations_unique": 1947,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.980
        },
        {
          "type": "R(meas)",
          "value": 3.273
        },
        {
          "type": "R(pim)",
          "value": 1.327
        },
        {
          "type": "I/SigI",
          "value": 1.6
        },
        {
          "type": "Redundancy",
          "value": 6.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.118
        }
      ]
    }
  ]

}
  

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


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