Data quality metrics extracted from 8hql.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": "5ede6177c958811734af647a44306b24",
  "space_group_name": "P 61 2 2",
  "unit_cell": {
    "a": 92.680,
    "b": 92.680,
    "c": 449.521,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97800],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.97,2.40],
    "number_observations": 360104,
    "number_observations_unique": 46187,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.078
      },
      {
        "type": "R(meas)",
        "value": 0.084
      },
      {
        "type": "R(pim)",
        "value": 0.029
      },
      {
        "type": "I/SigI",
        "value": 16.6
      },
      {
        "type": "Completeness",
        "value": 99.9
      },
      {
        "type": "Redundancy",
        "value": 7.8
      },
      {
        "type": "CC(1/2)",
        "value": 0.995
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.48,2.40],
      "number_observations": 35765,
      "number_observations_unique": 4398,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.780
        },
        {
          "type": "R(meas)",
          "value": 0.832
        },
        {
          "type": "R(pim)",
          "value": 0.285
        },
        {
          "type": "I/SigI",
          "value": 2.8
        },
        {
          "type": "Redundancy",
          "value": 8.1
        },
        {
          "type": "CC(1/2)",
          "value": 0.804
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell
Low resolution limit [Å] 39.970 2.480
High resolution limit [Å] 2.400 2.400
R(merge) 0.0780 0.7800
R(meas) 0.0840 0.8320
R(pim) 0.0290 0.2850
CC(1/2) 0.995 0.804
Completeness [%] 99.9 -
Multiplicity 7.8 8.1


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Multiplicity
2.480-2.400 0.7800 0.8320 0.2850 0.804 8.1