Data quality metrics extracted from 5s4y.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": "d5cfe2eb5e8151882a6b2831408cffc8",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 104.14,
    "b": 157.78,
    "c": 178.70,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91587],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [78.890,2.300],
    "number_observations": 893148,
    "number_observations_unique": 130903,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.080
      },
      {
        "type": "R(meas)",
        "value": 0.087
      },
      {
        "type": "I/SigI",
        "value": 11.230
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 6.823
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.360,2.300],
      "number_observations": 67846,
      "number_observations_unique": 9582,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.664
        },
        {
          "type": "R(meas)",
          "value": 2.873
        },
        {
          "type": "I/SigI",
          "value": 0.660
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.081
        },
        {
          "type": "CC(1/2)",
          "value": 0.277
        }
      ]
    },
    {
      "resolution_limits": [2.420,2.360],
      "number_observations": 65676,
      "number_observations_unique": 9337,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.019
        },
        {
          "type": "R(meas)",
          "value": 2.179
        },
        {
          "type": "I/SigI",
          "value": 0.900
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.034
        },
        {
          "type": "CC(1/2)",
          "value": 0.388
        }
      ]
    },
    {
      "resolution_limits": [2.490,2.420],
      "number_observations": 63091,
      "number_observations_unique": 9071,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.490
        },
        {
          "type": "R(meas)",
          "value": 1.610
        },
        {
          "type": "I/SigI",
          "value": 1.240
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.955
        },
        {
          "type": "CC(1/2)",
          "value": 0.526
        }
      ]
    },
    {
      "resolution_limits": [2.570,2.490],
      "number_observations": 60500,
      "number_observations_unique": 8828,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.120
        },
        {
          "type": "R(meas)",
          "value": 1.212
        },
        {
          "type": "I/SigI",
          "value": 1.640
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.853
        },
        {
          "type": "CC(1/2)",
          "value": 0.659
        }
      ]
    },
    {
      "resolution_limits": [2.660,2.570],
      "number_observations": 56025,
      "number_observations_unique": 8581,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.848
        },
        {
          "type": "R(meas)",
          "value": 0.922
        },
        {
          "type": "I/SigI",
          "value": 2.110
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.529
        },
        {
          "type": "CC(1/2)",
          "value": 0.754
        }
      ]
    },
    {
      "resolution_limits": [2.750,2.660],
      "number_observations": 55072,
      "number_observations_unique": 8320,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.657
        },
        {
          "type": "R(meas)",
          "value": 0.714
        },
        {
          "type": "I/SigI",
          "value": 2.740
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.619
        },
        {
          "type": "CC(1/2)",
          "value": 0.832
        }
      ]
    },
    {
      "resolution_limits": [2.850,2.750],
      "number_observations": 55619,
      "number_observations_unique": 7974,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.467
        },
        {
          "type": "R(meas)",
          "value": 0.504
        },
        {
          "type": "I/SigI",
          "value": 3.910
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.975
        },
        {
          "type": "CC(1/2)",
          "value": 0.917
        }
      ]
    },
    {
      "resolution_limits": [2.970,2.850],
      "number_observations": 54680,
      "number_observations_unique": 7749,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.336
        },
        {
          "type": "R(meas)",
          "value": 0.363
        },
        {
          "type": "I/SigI",
          "value": 5.300
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.056
        },
        {
          "type": "CC(1/2)",
          "value": 0.952
        }
      ]
    },
    {
      "resolution_limits": [3.100,2.970],
      "number_observations": 51735,
      "number_observations_unique": 7400,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.231
        },
        {
          "type": "R(meas)",
          "value": 0.250
        },
        {
          "type": "I/SigI",
          "value": 7.420
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.991
        },
        {
          "type": "CC(1/2)",
          "value": 0.976
        }
      ]
    },
    {
      "resolution_limits": [3.250,3.100],
      "number_observations": 49334,
      "number_observations_unique": 7114,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.169
        },
        {
          "type": "R(meas)",
          "value": 0.182
        },
        {
          "type": "I/SigI",
          "value": 9.960
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.935
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [3.430,3.250],
      "number_observations": 44705,
      "number_observations_unique": 6756,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.120
        },
        {
          "type": "R(meas)",
          "value": 0.130
        },
        {
          "type": "I/SigI",
          "value": 13.030
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.617
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [3.640,3.430],
      "number_observations": 41509,
      "number_observations_unique": 6397,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.089
        },
        {
          "type": "R(meas)",
          "value": 0.097
        },
        {
          "type": "I/SigI",
          "value": 16.710
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.489
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.890,3.640],
      "number_observations": 42289,
      "number_observations_unique": 6028,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.070
        },
        {
          "type": "R(meas)",
          "value": 0.076
        },
        {
          "type": "I/SigI",
          "value": 21.920
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.015
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [4.200,3.890],
      "number_observations": 39469,
      "number_observations_unique": 5640,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "R(meas)",
          "value": 0.063
        },
        {
          "type": "I/SigI",
          "value": 25.840
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.998
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [4.600,4.200],
      "number_observations": 35533,
      "number_observations_unique": 5196,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "R(meas)",
          "value": 0.055
        },
        {
          "type": "I/SigI",
          "value": 30.030
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.839
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.140,4.600],
      "number_observations": 29839,
      "number_observations_unique": 4701,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "R(meas)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 30.590
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.347
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [5.940,5.140],
      "number_observations": 28027,
      "number_observations_unique": 4218,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "R(meas)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 30.940
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.645
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [7.270,5.940],
      "number_observations": 24472,
      "number_observations_unique": 3572,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "R(meas)",
          "value": 0.050
        },
        {
          "type": "I/SigI",
          "value": 33.030
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.851
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [10.290,7.270],
      "number_observations": 17498,
      "number_observations_unique": 2808,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "R(meas)",
          "value": 0.046
        },
        {
          "type": "I/SigI",
          "value": 36.960
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.231
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [78.890,10.290],
      "number_observations": 10229,
      "number_observations_unique": 1631,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "R(meas)",
          "value": 0.043
        },
        {
          "type": "I/SigI",
          "value": 40.300
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 6.272
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 78.890 78.890 2.420
High resolution limit [Å] 2.300 10.290 2.360
R(merge) 0.0800 0.0400 2.0190
R(meas) 0.0870 0.0430 2.1790
CC(1/2) 0.999 0.998 0.388
Completeness [%] 99.9 99.5 99.9
Multiplicity 6.8 6.3 7.0


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
78.890-10.290 0.0400 0.0430 0.998 99.5 6.3
10.290-7.270 0.0420 0.0460 0.998 99.9 6.2
7.270-5.940 0.0460 0.0500 0.998 100.0 6.9
5.940-5.140 0.0480 0.0520 0.998 100.0 6.6
5.140-4.600 0.0480 0.0520 0.997 100.0 6.3
4.600-4.200 0.0510 0.0550 0.998 100.0 6.8
4.200-3.890 0.0580 0.0630 0.997 100.0 7.0
3.890-3.640 0.0700 0.0760 0.997 100.0 7.0
3.640-3.430 0.0890 0.0970 0.995 100.0 6.5
3.430-3.250 0.1200 0.1300 0.992 100.0 6.6
3.250-3.100 0.1690 0.1820 0.986 99.9 6.9
3.100-2.970 0.2310 0.2500 0.976 99.9 7.0
2.970-2.850 0.3360 0.3630 0.952 100.0 8.1
2.850-2.750 0.4670 0.5040 0.917 99.9 7.0
2.750-2.660 0.6570 0.7140 0.832 99.9 6.6
2.660-2.570 0.8480 0.9220 0.754 99.9 6.5
2.570-2.490 1.1200 1.2120 0.659 99.9 6.9
2.490-2.420 1.4900 1.6100 0.526 99.9 7.0
2.420-2.360 2.0190 2.1790 0.388 99.9 7.0
2.360-2.300 2.6640 2.8730 0.277 99.9 8.1