Data quality metrics extracted from 6hbz.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": "d5a44883597a22422ba6ccc8535eaf53",
  "space_group_name": "P 65 2 2",
  "unit_cell": {
    "a": 176.776,
    "b": 176.776,
    "c": 112.117,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [153.09,1.790],
    "number_observations_unique": 97476,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.121
      },
      {
        "type": "R(meas)",
        "value": 0.123
      },
      {
        "type": "R(pim)",
        "value": 0.020
      },
      {
        "type": "I/SigI",
        "value": 20.400
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 37.000
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.820,1.790],
      "number_observations_unique": 4737,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.958
        },
        {
          "type": "R(meas)",
          "value": 1.985
        },
        {
          "type": "R(pim)",
          "value": 0.325
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 36.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.448
        }
      ]
    },
    {
      "resolution_limits": [90.450,9.780],
      "number_observations_unique": 724,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.050
        },
        {
          "type": "R(meas)",
          "value": 0.051
        },
        {
          "type": "R(pim)",
          "value": 0.009
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 33.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 153.090 90.450 90.450
High resolution limit [Å] 1.790 9.780 9.780
R(merge) 0.1210 0.0500 0.0500
R(meas) 0.1230 0.0510 0.0510
R(pim) 0.0200 0.0090 0.0090
CC(1/2) 0.998 0.998 0.998
Completeness [%] 100.0 99.9 99.9
Multiplicity 37.0 33.4 33.4


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
90.450-9.780 0.0500 0.0510 0.0090 0.998 99.9 33.4
1.820-1.790 1.9580 1.9850 0.3250 0.448 99.6 36.9