Data quality metrics extracted from 5s5b.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": "cecce768acb0835c3985f01ace60262a",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 105.02,
    "b": 158.92,
    "c": 179.41,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91587],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [63.370,2.300],
    "number_observations": 908247,
    "number_observations_unique": 133439,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.111
      },
      {
        "type": "R(meas)",
        "value": 0.120
      },
      {
        "type": "I/SigI",
        "value": 9.620
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 6.806
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.360,2.300],
      "number_observations": 69087,
      "number_observations_unique": 9775,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.332
        },
        {
          "type": "R(meas)",
          "value": 2.515
        },
        {
          "type": "I/SigI",
          "value": 0.740
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 7.068
        },
        {
          "type": "CC(1/2)",
          "value": 0.326
        }
      ]
    },
    {
      "resolution_limits": [2.420,2.360],
      "number_observations": 66952,
      "number_observations_unique": 9512,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.774
        },
        {
          "type": "R(meas)",
          "value": 1.914
        },
        {
          "type": "I/SigI",
          "value": 1.000
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 7.039
        },
        {
          "type": "CC(1/2)",
          "value": 0.431
        }
      ]
    },
    {
      "resolution_limits": [2.490,2.420],
      "number_observations": 64413,
      "number_observations_unique": 9282,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.361
        },
        {
          "type": "R(meas)",
          "value": 1.470
        },
        {
          "type": "I/SigI",
          "value": 1.310
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.940
        },
        {
          "type": "CC(1/2)",
          "value": 0.561
        }
      ]
    },
    {
      "resolution_limits": [2.570,2.490],
      "number_observations": 61732,
      "number_observations_unique": 9033,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.091
        },
        {
          "type": "R(meas)",
          "value": 1.181
        },
        {
          "type": "I/SigI",
          "value": 1.610
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.834
        },
        {
          "type": "CC(1/2)",
          "value": 0.665
        }
      ]
    },
    {
      "resolution_limits": [2.660,2.570],
      "number_observations": 56827,
      "number_observations_unique": 8714,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.852
        },
        {
          "type": "R(meas)",
          "value": 0.926
        },
        {
          "type": "I/SigI",
          "value": 2.040
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.521
        },
        {
          "type": "CC(1/2)",
          "value": 0.744
        }
      ]
    },
    {
      "resolution_limits": [2.750,2.660],
      "number_observations": 55970,
      "number_observations_unique": 8466,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.681
        },
        {
          "type": "R(meas)",
          "value": 0.739
        },
        {
          "type": "I/SigI",
          "value": 2.560
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.611
        },
        {
          "type": "CC(1/2)",
          "value": 0.817
        }
      ]
    },
    {
      "resolution_limits": [2.850,2.750],
      "number_observations": 56677,
      "number_observations_unique": 8159,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.513
        },
        {
          "type": "R(meas)",
          "value": 0.554
        },
        {
          "type": "I/SigI",
          "value": 3.480
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.947
        },
        {
          "type": "CC(1/2)",
          "value": 0.905
        }
      ]
    },
    {
      "resolution_limits": [2.970,2.850],
      "number_observations": 55452,
      "number_observations_unique": 7873,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.389
        },
        {
          "type": "R(meas)",
          "value": 0.420
        },
        {
          "type": "I/SigI",
          "value": 4.600
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.043
        },
        {
          "type": "CC(1/2)",
          "value": 0.940
        }
      ]
    },
    {
      "resolution_limits": [3.100,2.970],
      "number_observations": 52707,
      "number_observations_unique": 7560,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.273
        },
        {
          "type": "R(meas)",
          "value": 0.294
        },
        {
          "type": "I/SigI",
          "value": 6.370
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.972
        },
        {
          "type": "CC(1/2)",
          "value": 0.968
        }
      ]
    },
    {
      "resolution_limits": [3.250,3.100],
      "number_observations": 49856,
      "number_observations_unique": 7220,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.204
        },
        {
          "type": "R(meas)",
          "value": 0.220
        },
        {
          "type": "I/SigI",
          "value": 8.260
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.905
        },
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    },
    {
      "resolution_limits": [3.430,3.250],
      "number_observations": 45337,
      "number_observations_unique": 6870,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.152
        },
        {
          "type": "R(meas)",
          "value": 0.165
        },
        {
          "type": "I/SigI",
          "value": 10.520
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.599
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [3.640,3.430],
      "number_observations": 42526,
      "number_observations_unique": 6567,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.119
        },
        {
          "type": "R(meas)",
          "value": 0.130
        },
        {
          "type": "I/SigI",
          "value": 12.630
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.476
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [3.890,3.640],
      "number_observations": 42852,
      "number_observations_unique": 6138,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.102
        },
        {
          "type": "R(meas)",
          "value": 0.110
        },
        {
          "type": "I/SigI",
          "value": 15.940
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.981
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [4.200,3.890],
      "number_observations": 39869,
      "number_observations_unique": 5730,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.072
        },
        {
          "type": "R(meas)",
          "value": 0.078
        },
        {
          "type": "I/SigI",
          "value": 21.160
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.958
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [4.600,4.200],
      "number_observations": 36028,
      "number_observations_unique": 5293,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "R(meas)",
          "value": 0.064
        },
        {
          "type": "I/SigI",
          "value": 25.010
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.807
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.140,4.600],
      "number_observations": 30388,
      "number_observations_unique": 4820,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        },
        {
          "type": "R(meas)",
          "value": 0.057
        },
        {
          "type": "I/SigI",
          "value": 26.190
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.305
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.940,5.140],
      "number_observations": 28333,
      "number_observations_unique": 4270,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "R(meas)",
          "value": 0.062
        },
        {
          "type": "I/SigI",
          "value": 25.950
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.635
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [7.270,5.940],
      "number_observations": 24939,
      "number_observations_unique": 3639,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "R(meas)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 28.130
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.853
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [10.290,7.270],
      "number_observations": 17859,
      "number_observations_unique": 2861,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "R(meas)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 37.150
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.242
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [63.370,10.290],
      "number_observations": 10443,
      "number_observations_unique": 1657,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "R(meas)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 45.490
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 6.302
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 63.370 63.370 2.420
High resolution limit [Å] 2.300 10.290 2.360
R(merge) 0.1110 0.0310 1.7740
R(meas) 0.1200 0.0330 1.9140
CC(1/2) 0.999 0.999 0.431
Completeness [%] 99.9 99.3 99.8
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
63.370-10.290 0.0310 0.0330 0.999 99.3 6.3
10.290-7.270 0.0370 0.0400 0.999 99.9 6.2
7.270-5.940 0.0510 0.0560 0.998 99.9 6.9
5.940-5.140 0.0570 0.0620 0.997 99.9 6.6
5.140-4.600 0.0520 0.0570 0.998 99.9 6.3
4.600-4.200 0.0590 0.0640 0.998 99.9 6.8
4.200-3.890 0.0720 0.0780 0.997 99.9 7.0
3.890-3.640 0.1020 0.1100 0.995 99.8 7.0
3.640-3.430 0.1190 0.1300 0.992 99.9 6.5
3.430-3.250 0.1520 0.1650 0.988 99.9 6.6
3.250-3.100 0.2040 0.2200 0.982 99.9 6.9
3.100-2.970 0.2730 0.2940 0.968 99.9 7.0
2.970-2.850 0.3890 0.4200 0.940 100.0 7.0
2.850-2.750 0.5130 0.5540 0.905 99.9 6.9
2.750-2.660 0.6810 0.7390 0.817 99.9 6.6
2.660-2.570 0.8520 0.9260 0.744 99.9 6.5
2.570-2.490 1.0910 1.1810 0.665 99.9 6.8
2.490-2.420 1.3610 1.4700 0.561 99.9 6.9
2.420-2.360 1.7740 1.9140 0.431 99.8 7.0
2.360-2.300 2.3320 2.5150 0.326 99.8 8.1