Data quality metrics extracted from 7h3r.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": "3b13f1418800e231267f05505cb958fd",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 86.175,
    "b": 56.680,
    "c": 32.387,
    "alpha": 90.00,
    "beta": 95.19,
    "gamma": 90.00
  },
  "wavelengths": [0.94055],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.29,1.06],
    "number_observations": 411279,
    "number_observations_unique": 60743,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.053
      },
      {
        "type": "R(meas)",
        "value": 0.057
      },
      {
        "type": "R(pim)",
        "value": 0.022
      },
      {
        "type": "I/SigI",
        "value": 17.1
      },
      {
        "type": "Completeness",
        "value": 86.5
      },
      {
        "type": "Redundancy",
        "value": 6.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.08,1.06],
      "number_observations": 5958,
      "number_observations_unique": 1344,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.889
        },
        {
          "type": "R(meas)",
          "value": 2.136
        },
        {
          "type": "R(pim)",
          "value": 0.976
        },
        {
          "type": "I/SigI",
          "value": 0.4
        },
        {
          "type": "Redundancy",
          "value": 4.4
        },
        {
          "type": "CC(1/2)",
          "value": 0.369
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 47.290 1.080
High resolution limit [Å] 1.060 1.060
R(merge) 0.0530 1.8890
R(meas) 0.0570 2.1360
R(pim) 0.0220 0.9760
CC(1/2) 0.999 0.369
Completeness [%] 86.5 -
Multiplicity 6.8 4.4


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Multiplicity
1.080-1.060 1.8890 2.1360 0.9760 0.369 4.4