Data quality metrics extracted from 5qze.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": "000177a35f71fdd7a77c0dd40cacf008",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 89.095,
    "b": 81.670,
    "c": 93.379,
    "alpha": 90.00,
    "beta": 108.65,
    "gamma": 90.00
  },
  "wavelengths": [0.82700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.980,1.55],
    "number_observations": 634726,
    "number_observations_unique": 87359,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.059
      },
      {
        "type": "R(meas)",
        "value": 0.064
      },
      {
        "type": "I/SigI",
        "value": 13.030
      },
      {
        "type": "Completeness",
        "value": 99.700
      },
      {
        "type": "Redundancy",
        "value": 6.904
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.64,1.55],
      "number_observations": 100114,
      "number_observations_unique": 14835,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.289
        },
        {
          "type": "R(meas)",
          "value": 2.480
        },
        {
          "type": "I/SigI",
          "value": 0.61
        },
        {
          "type": "Completeness",
          "value": 0.985
        },
        {
          "type": "Redundancy",
          "value": 6.75
        },
        {
          "type": "CC(1/2)",
          "value": 0.425
        }
      ]
    },
    {
      "resolution_limits": [1.76,1.64],
      "number_observations": 96399,
      "number_observations_unique": 13948,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.265
        },
        {
          "type": "R(meas)",
          "value": 1.369
        },
        {
          "type": "I/SigI",
          "value": 1.18
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.91
        },
        {
          "type": "CC(1/2)",
          "value": 0.716
        }
      ]
    },
    {
      "resolution_limits": [1.90,1.76],
      "number_observations": 89569,
      "number_observations_unique": 13048,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.633
        },
        {
          "type": "R(meas)",
          "value": 0.686
        },
        {
          "type": "I/SigI",
          "value": 2.46
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.86
        },
        {
          "type": "CC(1/2)",
          "value": 0.910
        }
      ]
    },
    {
      "resolution_limits": [2.08,1.90],
      "number_observations": 81847,
      "number_observations_unique": 11969,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.283
        },
        {
          "type": "R(meas)",
          "value": 0.306
        },
        {
          "type": "I/SigI",
          "value": 5.52
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.84
        },
        {
          "type": "CC(1/2)",
          "value": 0.980
        }
      ]
    },
    {
      "resolution_limits": [2.32,2.08],
      "number_observations": 75410,
      "number_observations_unique": 10845,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.144
        },
        {
          "type": "R(meas)",
          "value": 0.156
        },
        {
          "type": "I/SigI",
          "value": 11.04
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.95
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [2.68,2.32],
      "number_observations": 67700,
      "number_observations_unique": 9570,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.087
        },
        {
          "type": "R(meas)",
          "value": 0.094
        },
        {
          "type": "I/SigI",
          "value": 19.22
        },
        {
          "type": "Completeness",
          "value": 1.000
        },
        {
          "type": "Redundancy",
          "value": 7.07
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.28,2.68],
      "number_observations": 55760,
      "number_observations_unique": 8119,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "R(meas)",
          "value": 0.055
        },
        {
          "type": "I/SigI",
          "value": 31.76
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.87
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [4.62,3.28],
      "number_observations": 43427,
      "number_observations_unique": 6320,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "R(meas)",
          "value": 0.035
        },
        {
          "type": "I/SigI",
          "value": 50.03
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.87
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [50.00,4.62],
      "number_observations": 24499,
      "number_observations_unique": 3573,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.030
        },
        {
          "type": "R(meas)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 55.61
        },
        {
          "type": "Completeness",
          "value": 0.995
        },
        {
          "type": "Redundancy",
          "value": 6.86
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 43.980 50.000 1.760
High resolution limit [Å] 1.550 4.620 1.640
R(merge) 0.0590 0.0300 1.2650
R(meas) 0.0640 0.0330 1.3690
CC(1/2) 0.999 0.999 0.716
Completeness [%] 99.7 1.0 1.0
Multiplicity 6.9 6.9 6.9


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
50.000-4.620 0.0300 0.0330 0.999 1.0 6.9
4.620-3.280 0.0330 0.0350 0.999 1.0 6.9
3.280-2.680 0.0510 0.0550 0.999 1.0 6.9
2.680-2.320 0.0870 0.0940 0.997 1.0 8.1
2.320-2.080 0.1440 0.1560 0.993 1.0 7.0
2.080-1.900 0.2830 0.3060 0.980 1.0 6.8
1.900-1.760 0.6330 0.6860 0.910 1.0 6.9
1.760-1.640 1.2650 1.3690 0.716 1.0 6.9
1.640-1.550 2.2890 2.4800 0.425 1.0 6.8