Data quality metrics extracted from 6yfe.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": "addd0dc7f51447624d7c6f2e4a985d7f",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 298.111,
    "b": 325.048,
    "c": 346.016,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91840],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.431,3.790],
    "number_observations": 1102291,
    "number_observations_unique": 323225,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.372
      },
      {
        "type": "R(meas)",
        "value": 0.440
      },
      {
        "type": "I/SigI",
        "value": 3.550
      },
      {
        "type": "Completeness",
        "value": 98.000
      },
      {
        "type": "Redundancy",
        "value": 3.410
      },
      {
        "type": "CC(1/2)",
        "value": 0.965
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [4.020,3.790],
      "number_observations": 168578,
      "number_observations_unique": 50207,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.495
        },
        {
          "type": "R(meas)",
          "value": 1.772
        },
        {
          "type": "I/SigI",
          "value": 0.770
        },
        {
          "type": "Completeness",
          "value": 95.300
        },
        {
          "type": "Redundancy",
          "value": 3.358
        },
        {
          "type": "CC(1/2)",
          "value": 0.243
        }
      ]
    },
    {
      "resolution_limits": [4.300,4.020],
      "number_observations": 165116,
      "number_observations_unique": 48753,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.089
        },
        {
          "type": "R(meas)",
          "value": 1.291
        },
        {
          "type": "I/SigI",
          "value": 1.070
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 3.387
        },
        {
          "type": "CC(1/2)",
          "value": 0.388
        }
      ]
    },
    {
      "resolution_limits": [4.640,4.300],
      "number_observations": 163822,
      "number_observations_unique": 46051,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.597
        },
        {
          "type": "R(meas)",
          "value": 0.704
        },
        {
          "type": "I/SigI",
          "value": 2.130
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.557
        },
        {
          "type": "CC(1/2)",
          "value": 0.681
        }
      ]
    },
    {
      "resolution_limits": [5.080,4.640],
      "number_observations": 148006,
      "number_observations_unique": 42041,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.465
        },
        {
          "type": "R(meas)",
          "value": 0.549
        },
        {
          "type": "I/SigI",
          "value": 2.720
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "Redundancy",
          "value": 3.521
        },
        {
          "type": "CC(1/2)",
          "value": 0.767
        }
      ]
    },
    {
      "resolution_limits": [5.670,5.080],
      "number_observations": 126561,
      "number_observations_unique": 38016,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.409
        },
        {
          "type": "R(meas)",
          "value": 0.486
        },
        {
          "type": "I/SigI",
          "value": 2.930
        },
        {
          "type": "Completeness",
          "value": 98.300
        },
        {
          "type": "Redundancy",
          "value": 3.329
        },
        {
          "type": "CC(1/2)",
          "value": 0.802
        }
      ]
    },
    {
      "resolution_limits": [6.530,5.670],
      "number_observations": 121709,
      "number_observations_unique": 34093,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.344
        },
        {
          "type": "R(meas)",
          "value": 0.405
        },
        {
          "type": "I/SigI",
          "value": 3.570
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.570
        },
        {
          "type": "CC(1/2)",
          "value": 0.857
        }
      ]
    },
    {
      "resolution_limits": [7.970,6.530],
      "number_observations": 96003,
      "number_observations_unique": 28585,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.224
        },
        {
          "type": "R(meas)",
          "value": 0.265
        },
        {
          "type": "I/SigI",
          "value": 5.220
        },
        {
          "type": "Completeness",
          "value": 98.000
        },
        {
          "type": "Redundancy",
          "value": 3.359
        },
        {
          "type": "CC(1/2)",
          "value": 0.941
        }
      ]
    },
    {
      "resolution_limits": [11.120,7.970],
      "number_observations": 74825,
      "number_observations_unique": 22551,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.094
        },
        {
          "type": "R(meas)",
          "value": 0.112
        },
        {
          "type": "I/SigI",
          "value": 11.560
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 3.318
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [49.431,11.120],
      "number_observations": 37671,
      "number_observations_unique": 12928,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "R(meas)",
          "value": 0.070
        },
        {
          "type": "I/SigI",
          "value": 15.600
        },
        {
          "type": "Completeness",
          "value": 94.100
        },
        {
          "type": "Redundancy",
          "value": 2.914
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 49.431 49.431 4.300
High resolution limit [Å] 3.790 11.120 4.020
R(merge) 0.3720 0.0580 1.0890
R(meas) 0.4400 0.0700 1.2910
CC(1/2) 0.965 0.995 0.388
Completeness [%] 98.0 94.1 98.5
Multiplicity 3.4 2.9 3.4


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
49.431-11.120 0.0580 0.0700 0.995 94.1 2.9
11.120-7.970 0.0940 0.1120 0.990 98.5 3.3
7.970-6.530 0.2240 0.2650 0.941 98.0 3.4
6.530-5.670 0.3440 0.4050 0.857 99.5 3.6
5.670-5.080 0.4090 0.4860 0.802 98.3 3.3
5.080-4.640 0.4650 0.5490 0.767 98.6 3.5
4.640-4.300 0.5970 0.7040 0.681 99.5 3.6
4.300-4.020 1.0890 1.2910 0.388 98.5 3.4
4.020-3.790 1.4950 1.7720 0.243 95.3 3.4