Data quality metrics extracted from 5qzd.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": "2fbd1d0cac16138f6f2ba1287a819d26",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 88.323,
    "b": 82.028,
    "c": 93.354,
    "alpha": 90.00,
    "beta": 107.98,
    "gamma": 90.00
  },
  "wavelengths": [0.82700],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.517,1.59],
    "number_observations": 585307,
    "number_observations_unique": 84901,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.059
      },
      {
        "type": "R(meas)",
        "value": 0.064
      },
      {
        "type": "I/SigI",
        "value": 12.630
      },
      {
        "type": "Completeness",
        "value": 99.700
      },
      {
        "type": "Redundancy",
        "value": 6.886
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.69,1.59],
      "number_observations": 92464,
      "number_observations_unique": 13687,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.841
        },
        {
          "type": "R(meas)",
          "value": 3.075
        },
        {
          "type": "I/SigI",
          "value": 0.56
        },
        {
          "type": "Completeness",
          "value": 0.990
        },
        {
          "type": "Redundancy",
          "value": 6.76
        },
        {
          "type": "CC(1/2)",
          "value": 0.316
        }
      ]
    },
    {
      "resolution_limits": [1.80,1.69],
      "number_observations": 88910,
      "number_observations_unique": 12927,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.486
        },
        {
          "type": "R(meas)",
          "value": 1.608
        },
        {
          "type": "I/SigI",
          "value": 1.18
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.88
        },
        {
          "type": "CC(1/2)",
          "value": 0.640
        }
      ]
    },
    {
      "resolution_limits": [1.95,1.80],
      "number_observations": 82261,
      "number_observations_unique": 12043,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.687
        },
        {
          "type": "R(meas)",
          "value": 0.744
        },
        {
          "type": "I/SigI",
          "value": 2.66
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.83
        },
        {
          "type": "CC(1/2)",
          "value": 0.896
        }
      ]
    },
    {
      "resolution_limits": [2.13,1.95],
      "number_observations": 74604,
      "number_observations_unique": 11029,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.295
        },
        {
          "type": "R(meas)",
          "value": 0.320
        },
        {
          "type": "I/SigI",
          "value": 5.99
        },
        {
          "type": "Completeness",
          "value": 1.000
        },
        {
          "type": "Redundancy",
          "value": 6.76
        },
        {
          "type": "CC(1/2)",
          "value": 0.977
        }
      ]
    },
    {
      "resolution_limits": [2.38,2.13],
      "number_observations": 70271,
      "number_observations_unique": 10035,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.145
        },
        {
          "type": "R(meas)",
          "value": 0.157
        },
        {
          "type": "I/SigI",
          "value": 11.69
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 7.00
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [2.75,2.38],
      "number_observations": 62054,
      "number_observations_unique": 8876,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.086
        },
        {
          "type": "R(meas)",
          "value": 0.094
        },
        {
          "type": "I/SigI",
          "value": 19.08
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.99
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.36,2.75],
      "number_observations": 51305,
      "number_observations_unique": 7501,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "R(meas)",
          "value": 0.055
        },
        {
          "type": "I/SigI",
          "value": 30.98
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.84
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [4.74,3.36],
      "number_observations": 40725,
      "number_observations_unique": 5825,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "R(meas)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 46.54
        },
        {
          "type": "Completeness",
          "value": 0.999
        },
        {
          "type": "Redundancy",
          "value": 6.99
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [50.00,4.74],
      "number_observations": 22713,
      "number_observations_unique": 3308,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "R(meas)",
          "value": 0.036
        },
        {
          "type": "I/SigI",
          "value": 49.76
        },
        {
          "type": "Completeness",
          "value": 0.993
        },
        {
          "type": "Redundancy",
          "value": 6.87
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 43.517 50.000 1.800
High resolution limit [Å] 1.590 4.740 1.690
R(merge) 0.0590 0.0330 1.4860
R(meas) 0.0640 0.0360 1.6080
CC(1/2) 0.999 0.999 0.640
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
50.000-4.740 0.0330 0.0360 0.999 1.0 6.9
4.740-3.360 0.0340 0.0370 0.999 1.0 7.0
3.360-2.750 0.0510 0.0550 0.999 1.0 6.8
2.750-2.380 0.0860 0.0940 0.997 1.0 7.0
2.380-2.130 0.1450 0.1570 0.993 1.0 7.0
2.130-1.950 0.2950 0.3200 0.977 1.0 6.8
1.950-1.800 0.6870 0.7440 0.896 1.0 6.8
1.800-1.690 1.4860 1.6080 0.640 1.0 6.9
1.690-1.590 2.8410 3.0750 0.316 1.0 6.8