Data quality metrics extracted from 5sb9.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": "85f4b41ae977f43994a0e6f01da57326",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 104.539,
    "b": 156.717,
    "c": 181.697,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.920,2.500],
    "number_observations": 1413808,
    "number_observations_unique": 103685,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.212
      },
      {
        "type": "R(meas)",
        "value": 0.220
      },
      {
        "type": "I/SigI",
        "value": 11.520
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 13.636
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.560,2.500],
      "number_observations": 106902,
      "number_observations_unique": 7576,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.412
        },
        {
          "type": "R(meas)",
          "value": 2.503
        },
        {
          "type": "I/SigI",
          "value": 1.140
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.111
        },
        {
          "type": "CC(1/2)",
          "value": 0.469
        }
      ]
    },
    {
      "resolution_limits": [2.640,2.560],
      "number_observations": 103207,
      "number_observations_unique": 7387,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.920
        },
        {
          "type": "R(meas)",
          "value": 1.993
        },
        {
          "type": "I/SigI",
          "value": 1.460
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 13.971
        },
        {
          "type": "CC(1/2)",
          "value": 0.565
        }
      ]
    },
    {
      "resolution_limits": [2.710,2.640],
      "number_observations": 99508,
      "number_observations_unique": 7185,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.730
        },
        {
          "type": "R(meas)",
          "value": 1.796
        },
        {
          "type": "I/SigI",
          "value": 1.640
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.849
        },
        {
          "type": "CC(1/2)",
          "value": 0.625
        }
      ]
    },
    {
      "resolution_limits": [2.800,2.710],
      "number_observations": 95516,
      "number_observations_unique": 7002,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.396
        },
        {
          "type": "R(meas)",
          "value": 1.450
        },
        {
          "type": "I/SigI",
          "value": 2.050
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.641
        },
        {
          "type": "CC(1/2)",
          "value": 0.720
        }
      ]
    },
    {
      "resolution_limits": [2.890,2.800],
      "number_observations": 87664,
      "number_observations_unique": 6788,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.057
        },
        {
          "type": "R(meas)",
          "value": 1.101
        },
        {
          "type": "I/SigI",
          "value": 2.640
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.915
        },
        {
          "type": "CC(1/2)",
          "value": 0.804
        }
      ]
    },
    {
      "resolution_limits": [2.990,2.890],
      "number_observations": 85316,
      "number_observations_unique": 6568,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.874
        },
        {
          "type": "R(meas)",
          "value": 0.910
        },
        {
          "type": "I/SigI",
          "value": 3.240
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.990
        },
        {
          "type": "CC(1/2)",
          "value": 0.864
        }
      ]
    },
    {
      "resolution_limits": [3.100,2.990],
      "number_observations": 88815,
      "number_observations_unique": 6331,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.665
        },
        {
          "type": "R(meas)",
          "value": 0.690
        },
        {
          "type": "I/SigI",
          "value": 4.480
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.029
        },
        {
          "type": "CC(1/2)",
          "value": 0.922
        }
      ]
    },
    {
      "resolution_limits": [3.230,3.100],
      "number_observations": 83810,
      "number_observations_unique": 6112,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.519
        },
        {
          "type": "R(meas)",
          "value": 0.539
        },
        {
          "type": "I/SigI",
          "value": 5.690
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.712
        },
        {
          "type": "CC(1/2)",
          "value": 0.950
        }
      ]
    },
    {
      "resolution_limits": [3.370,3.230],
      "number_observations": 76089,
      "number_observations_unique": 5894,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.390
        },
        {
          "type": "R(meas)",
          "value": 0.406
        },
        {
          "type": "I/SigI",
          "value": 7.250
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.910
        },
        {
          "type": "CC(1/2)",
          "value": 0.969
        }
      ]
    },
    {
      "resolution_limits": [3.540,3.370],
      "number_observations": 76662,
      "number_observations_unique": 5606,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.278
        },
        {
          "type": "R(meas)",
          "value": 0.289
        },
        {
          "type": "I/SigI",
          "value": 10.180
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.675
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [3.730,3.540],
      "number_observations": 76527,
      "number_observations_unique": 5362,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.213
        },
        {
          "type": "R(meas)",
          "value": 0.221
        },
        {
          "type": "I/SigI",
          "value": 13.410
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.272
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [3.950,3.730],
      "number_observations": 71833,
      "number_observations_unique": 5076,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.151
        },
        {
          "type": "R(meas)",
          "value": 0.157
        },
        {
          "type": "I/SigI",
          "value": 17.790
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.151
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [4.230,3.950],
      "number_observations": 66833,
      "number_observations_unique": 4786,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.119
        },
        {
          "type": "R(meas)",
          "value": 0.124
        },
        {
          "type": "I/SigI",
          "value": 21.340
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.964
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [4.560,4.230],
      "number_observations": 60998,
      "number_observations_unique": 4446,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.091
        },
        {
          "type": "R(meas)",
          "value": 0.095
        },
        {
          "type": "I/SigI",
          "value": 26.270
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.720
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.000,4.560],
      "number_observations": 54886,
      "number_observations_unique": 4131,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.079
        },
        {
          "type": "R(meas)",
          "value": 0.082
        },
        {
          "type": "I/SigI",
          "value": 28.930
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.286
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.590,5.000],
      "number_observations": 46710,
      "number_observations_unique": 3746,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.089
        },
        {
          "type": "R(meas)",
          "value": 0.092
        },
        {
          "type": "I/SigI",
          "value": 25.870
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.469
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [6.460,5.590],
      "number_observations": 45028,
      "number_observations_unique": 3307,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.092
        },
        {
          "type": "R(meas)",
          "value": 0.096
        },
        {
          "type": "I/SigI",
          "value": 26.130
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.616
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [7.910,6.460],
      "number_observations": 36673,
      "number_observations_unique": 2857,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.069
        },
        {
          "type": "R(meas)",
          "value": 0.072
        },
        {
          "type": "I/SigI",
          "value": 32.580
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.836
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [11.180,7.910],
      "number_observations": 31446,
      "number_observations_unique": 2225,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "R(meas)",
          "value": 0.049
        },
        {
          "type": "I/SigI",
          "value": 47.640
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.133
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [47.920,11.180],
      "number_observations": 16020,
      "number_observations_unique": 1287,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "R(meas)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 49.130
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "Redundancy",
          "value": 12.448
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 47.920 47.920 2.640
High resolution limit [Å] 2.500 11.180 2.560
R(merge) 0.2120 0.0430 1.9200
R(meas) 0.2200 0.0440 1.9930
CC(1/2) 0.998 0.998 0.565
Completeness [%] 100.0 98.4 99.9
Multiplicity 13.6 12.4 14.0


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
47.920-11.180 0.0430 0.0440 0.998 98.4 12.4
11.180-7.910 0.0470 0.0490 0.999 100.0 14.1
7.910-6.460 0.0690 0.0720 0.999 100.0 12.8
6.460-5.590 0.0920 0.0960 0.998 100.0 13.6
5.590-5.000 0.0890 0.0920 0.998 100.0 12.5
5.000-4.560 0.0790 0.0820 0.998 100.0 13.3
4.560-4.230 0.0910 0.0950 0.998 100.0 13.7
4.230-3.950 0.1190 0.1240 0.997 100.0 14.0
3.950-3.730 0.1510 0.1570 0.996 100.0 14.2
3.730-3.540 0.2130 0.2210 0.991 100.0 14.3
3.540-3.370 0.2780 0.2890 0.985 100.0 13.7
3.370-3.230 0.3900 0.4060 0.969 100.0 12.9
3.230-3.100 0.5190 0.5390 0.950 100.0 13.7
3.100-2.990 0.6650 0.6900 0.922 100.0 14.0
2.990-2.890 0.8740 0.9100 0.864 100.0 13.0
2.890-2.800 1.0570 1.1010 0.804 100.0 12.9
2.800-2.710 1.3960 1.4500 0.720 100.0 13.6
2.710-2.640 1.7300 1.7960 0.625 100.0 13.8
2.640-2.560 1.9200 1.9930 0.565 99.9 14.0
2.560-2.500 2.4120 2.5030 0.469 100.0 14.1