Data quality metrics extracted from 5yhl.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": "b400f407ddcf338806f2058e944c8ddc",
  "space_group_name": "C 2 2 21",
  "unit_cell": {
    "a": 101.97,
    "b": 392.23,
    "c": 81.08,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.90000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.339,4.200],
    "number_observations_unique": 22914,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.0716
      },
      {
        "type": "R(meas)",
        "value": 0.741
      },
      {
        "type": "I/SigI",
        "value": 4.310
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 15.076
      },
      {
        "type": "CC(1/2)",
        "value": 0.982
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [4.450,4.200],
      "number_observations_unique": 3637,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.6760
        },
        {
          "type": "R(meas)",
          "value": 6.993
        },
        {
          "type": "I/SigI",
          "value": 0.590
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 15.356
        },
        {
          "type": "CC(1/2)",
          "value": 0.300
        }
      ]
    },
    {
      "resolution_limits": [4.760,4.450],
      "number_observations_unique": 3512,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.738
        },
        {
          "type": "R(meas)",
          "value": 1.798
        },
        {
          "type": "I/SigI",
          "value": 1.550
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 15.344
        },
        {
          "type": "CC(1/2)",
          "value": 0.710
        }
      ]
    },
    {
      "resolution_limits": [5.140,4.760],
      "number_observations_unique": 3235,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.494
        },
        {
          "type": "R(meas)",
          "value": 1.545
        },
        {
          "type": "I/SigI",
          "value": 2.010
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 15.342
        },
        {
          "type": "CC(1/2)",
          "value": 0.781
        }
      ]
    },
    {
      "resolution_limits": [5.630,5.140],
      "number_observations_unique": 3009,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.995
        },
        {
          "type": "R(meas)",
          "value": 1.030
        },
        {
          "type": "I/SigI",
          "value": 2.730
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 15.164
        },
        {
          "type": "CC(1/2)",
          "value": 0.847
        }
      ]
    },
    {
      "resolution_limits": [6.290,5.630],
      "number_observations_unique": 2688,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.916
        },
        {
          "type": "R(meas)",
          "value": 0.949
        },
        {
          "type": "I/SigI",
          "value": 2.790
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.578
        },
        {
          "type": "CC(1/2)",
          "value": 0.844
        }
      ]
    },
    {
      "resolution_limits": [7.260,6.290],
      "number_observations_unique": 2403,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.564
        },
        {
          "type": "R(meas)",
          "value": 0.586
        },
        {
          "type": "I/SigI",
          "value": 4.400
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.927
        }
      ]
    },
    {
      "resolution_limits": [8.880,7.260],
      "number_observations_unique": 1998,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.338
        },
        {
          "type": "R(meas)",
          "value": 0.350
        },
        {
          "type": "I/SigI",
          "value": 8.510
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.862
        },
        {
          "type": "CC(1/2)",
          "value": 0.968
        }
      ]
    },
    {
      "resolution_limits": [12.510,8.880],
      "number_observations_unique": 1565,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.223
        },
        {
          "type": "R(meas)",
          "value": 0.230
        },
        {
          "type": "I/SigI",
          "value": 16.140
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 16.448
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [49.339,12.510],
      "number_observations_unique": 867,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.190
        },
        {
          "type": "R(meas)",
          "value": 0.197
        },
        {
          "type": "I/SigI",
          "value": 18.700
        },
        {
          "type": "Completeness",
          "value": 98.000
        },
        {
          "type": "Redundancy",
          "value": 16.009
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 49.339 49.339 4.760
High resolution limit [Å] 4.200 12.510 4.450
R(merge) 0.0716 0.1900 1.7380
R(meas) 0.7410 0.1970 1.7980
CC(1/2) 0.982 0.992 0.710
Completeness [%] 99.9 98.0 99.7
Multiplicity 16.1 16.0 15.3


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
49.339-12.510 0.1900 0.1970 0.992 98.0 16.0
12.510-8.880 0.2230 0.2300 0.986 100.0 16.4
8.880-7.260 0.3380 0.3500 0.968 100.0 14.9
7.260-6.290 0.5640 0.5860 0.927 100.0 13.3
6.290-5.630 0.9160 0.9490 0.844 100.0 14.6
5.630-5.140 0.9950 1.0300 0.847 100.0 15.2
5.140-4.760 1.4940 1.5450 0.781 100.0 15.3
4.760-4.450 1.7380 1.7980 0.710 99.7 15.3
4.450-4.200 0.6760 6.9930 0.300 99.9 15.4