Data quality metrics extracted from 7l84.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": "853e0406b157aa53ab9db9d38d539fab",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 79.344,
    "b": 79.344,
    "c": 37.810,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.89200],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [56.10,1.70],
    "number_observations_unique": 22855,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.1022
      },
      {
        "type": "R(meas)",
        "value": 0.1033
      },
      {
        "type": "R(pim)",
        "value": 0.01461
      },
      {
        "type": "I/SigI",
        "value": 35.63
      },
      {
        "type": "Completeness",
        "value": 90.74
      },
      {
        "type": "Redundancy",
        "value": 35.7
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.77,1.70],
      "number_observations_unique": 767,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.189
        },
        {
          "type": "R(meas)",
          "value": 0.2078
        },
        {
          "type": "R(pim)",
          "value": 0.08357
        },
        {
          "type": "I/SigI",
          "value": 6.70
        },
        {
          "type": "Completeness",
          "value": 30.45
        },
        {
          "type": "Redundancy",
          "value": 5.9
        },
        {
          "type": "CC(1/2)",
          "value": 0.968
        }
      ]
    }
  ]

}
  

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


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