Data quality metrics extracted from 5zle.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": "3dfcf9f2625bae7e76a1fc114dd6d5d0",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 64.45,
    "b": 115.94,
    "c": 48.43,
    "alpha": 90.00,
    "beta": 118.45,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.935,2.600],
    "number_observations_unique": 9644,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0103
      },
      {
        "type": "R(meas)",
        "value": 0.01037
      },
      {
        "type": "I/SigI",
        "value": 9.960
      },
      {
        "type": "Completeness",
        "value": 99.300
      },
      {
        "type": "Redundancy",
        "value": 72.377
      },
      {
        "type": "CC(1/2)",
        "value": 0.986
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.760,2.600],
      "number_observations_unique": 1575,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 7.700
        },
        {
          "type": "R(meas)",
          "value": 7.755
        },
        {
          "type": "I/SigI",
          "value": 1.060
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 68.717
        },
        {
          "type": "CC(1/2)",
          "value": 0.688
        }
      ]
    },
    {
      "resolution_limits": [2.950,2.760],
      "number_observations_unique": 1446,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.394
        },
        {
          "type": "R(meas)",
          "value": 3.416
        },
        {
          "type": "I/SigI",
          "value": 2.070
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 74.042
        },
        {
          "type": "CC(1/2)",
          "value": 0.854
        }
      ]
    },
    {
      "resolution_limits": [3.180,2.950],
      "number_observations_unique": 1325,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.098
        },
        {
          "type": "R(meas)",
          "value": 2.112
        },
        {
          "type": "I/SigI",
          "value": 3.150
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 73.365
        },
        {
          "type": "CC(1/2)",
          "value": 0.931
        }
      ]
    },
    {
      "resolution_limits": [3.490,3.180],
      "number_observations_unique": 1299,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.308
        },
        {
          "type": "R(meas)",
          "value": 1.316
        },
        {
          "type": "I/SigI",
          "value": 5.080
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 72.716
        },
        {
          "type": "CC(1/2)",
          "value": 0.962
        }
      ]
    },
    {
      "resolution_limits": [3.900,3.490],
      "number_observations_unique": 1114,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.720
        },
        {
          "type": "R(meas)",
          "value": 0.725
        },
        {
          "type": "I/SigI",
          "value": 9.210
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 67.605
        },
        {
          "type": "CC(1/2)",
          "value": 0.979
        }
      ]
    },
    {
      "resolution_limits": [4.500,3.900],
      "number_observations_unique": 1010,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.462
        },
        {
          "type": "R(meas)",
          "value": 0.465
        },
        {
          "type": "I/SigI",
          "value": 16.780
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 76.776
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [5.510,4.500],
      "number_observations_unique": 842,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.354
        },
        {
          "type": "R(meas)",
          "value": 0.356
        },
        {
          "type": "I/SigI",
          "value": 23.350
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "Redundancy",
          "value": 75.053
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [7.780,5.510],
      "number_observations_unique": 657,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.282
        },
        {
          "type": "R(meas)",
          "value": 0.284
        },
        {
          "type": "I/SigI",
          "value": 24.030
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 68.361
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [42.935,7.780],
      "number_observations_unique": 376,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.200
        },
        {
          "type": "R(meas)",
          "value": 0.201
        },
        {
          "type": "I/SigI",
          "value": 47.810
        },
        {
          "type": "Completeness",
          "value": 97.900
        },
        {
          "type": "Redundancy",
          "value": 79.995
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 42.935 42.935 2.950
High resolution limit [Å] 2.600 7.780 2.760
R(merge) 0.0103 0.2000 3.3940
R(meas) 0.0104 0.2010 3.4160
CC(1/2) 0.986 0.999 0.854
Completeness [%] 99.3 97.9 99.9
Multiplicity 72.4 80.0 74.0


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
42.935-7.780 0.2000 0.2010 0.999 97.9 80.0
7.780-5.510 0.2820 0.2840 0.997 99.1 68.4
5.510-4.500 0.3540 0.3560 0.995 98.6 76.1
4.500-3.900 0.4620 0.4650 0.990 99.7 76.8
3.900-3.490 0.7200 0.7250 0.979 99.5 67.6
3.490-3.180 1.3080 1.3160 0.962 99.4 72.7
3.180-2.950 2.0980 2.1120 0.931 99.4 73.4
2.950-2.760 3.3940 3.4160 0.854 99.9 74.0
2.760-2.600 7.7000 7.7550 0.688 99.3 68.7