Data quality metrics extracted from 5sho.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": "e9b7b1a5e5b64509cbf8b2791c4fa1d8",
  "space_group_name": "I 2 3",
  "unit_cell": {
    "a": 141.058,
    "b": 141.058,
    "c": 141.058,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [37.70,1.900],
    "number_observations": 259212,
    "number_observations_unique": 36540,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.081
      },
      {
        "type": "R(meas)",
        "value": 0.087
      },
      {
        "type": "I/SigI",
        "value": 15.420
      },
      {
        "type": "Completeness",
        "value": 99.300
      },
      {
        "type": "Redundancy",
        "value": 7.094
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.950,1.900],
      "number_observations": 12128,
      "number_observations_unique": 2487,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.185
        },
        {
          "type": "R(meas)",
          "value": 1.322
        },
        {
          "type": "I/SigI",
          "value": 1.280
        },
        {
          "type": "Completeness",
          "value": 92.500
        },
        {
          "type": "Redundancy",
          "value": 4.877
        },
        {
          "type": "CC(1/2)",
          "value": 0.475
        }
      ]
    },
    {
      "resolution_limits": [2.000,1.950],
      "number_observations": 15841,
      "number_observations_unique": 2607,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.965
        },
        {
          "type": "R(meas)",
          "value": 1.056
        },
        {
          "type": "I/SigI",
          "value": 1.840
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 6.076
        },
        {
          "type": "CC(1/2)",
          "value": 0.632
        }
      ]
    },
    {
      "resolution_limits": [2.060,2.000],
      "number_observations": 17636,
      "number_observations_unique": 2552,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.709
        },
        {
          "type": "R(meas)",
          "value": 0.766
        },
        {
          "type": "I/SigI",
          "value": 2.750
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.911
        },
        {
          "type": "CC(1/2)",
          "value": 0.816
        }
      ]
    },
    {
      "resolution_limits": [2.120,2.060],
      "number_observations": 17458,
      "number_observations_unique": 2477,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.541
        },
        {
          "type": "R(meas)",
          "value": 0.584
        },
        {
          "type": "I/SigI",
          "value": 3.620
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.048
        },
        {
          "type": "CC(1/2)",
          "value": 0.871
        }
      ]
    },
    {
      "resolution_limits": [2.190,2.120],
      "number_observations": 17634,
      "number_observations_unique": 2427,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.400
        },
        {
          "type": "R(meas)",
          "value": 0.430
        },
        {
          "type": "I/SigI",
          "value": 4.990
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.266
        },
        {
          "type": "CC(1/2)",
          "value": 0.929
        }
      ]
    },
    {
      "resolution_limits": [2.270,2.190],
      "number_observations": 17112,
      "number_observations_unique": 2344,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.329
        },
        {
          "type": "R(meas)",
          "value": 0.354
        },
        {
          "type": "I/SigI",
          "value": 6.140
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.951
        }
      ]
    },
    {
      "resolution_limits": [2.360,2.270],
      "number_observations": 16750,
      "number_observations_unique": 2251,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.260
        },
        {
          "type": "R(meas)",
          "value": 0.280
        },
        {
          "type": "I/SigI",
          "value": 7.630
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.441
        },
        {
          "type": "CC(1/2)",
          "value": 0.972
        }
      ]
    },
    {
      "resolution_limits": [2.450,2.360],
      "number_observations": 15995,
      "number_observations_unique": 2140,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.207
        },
        {
          "type": "R(meas)",
          "value": 0.223
        },
        {
          "type": "I/SigI",
          "value": 9.420
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.474
        },
        {
          "type": "CC(1/2)",
          "value": 0.980
        }
      ]
    },
    {
      "resolution_limits": [2.560,2.450],
      "number_observations": 15785,
      "number_observations_unique": 2101,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.171
        },
        {
          "type": "R(meas)",
          "value": 0.183
        },
        {
          "type": "I/SigI",
          "value": 11.400
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.513
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [2.690,2.560],
      "number_observations": 14888,
      "number_observations_unique": 1978,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.135
        },
        {
          "type": "R(meas)",
          "value": 0.145
        },
        {
          "type": "I/SigI",
          "value": 14.120
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 7.527
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [2.830,2.690],
      "number_observations": 14395,
      "number_observations_unique": 1909,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.114
        },
        {
          "type": "R(meas)",
          "value": 0.122
        },
        {
          "type": "I/SigI",
          "value": 16.500
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.541
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [3.000,2.830],
      "number_observations": 13650,
      "number_observations_unique": 1809,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.088
        },
        {
          "type": "R(meas)",
          "value": 0.095
        },
        {
          "type": "I/SigI",
          "value": 20.560
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.546
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.210,3.000],
      "number_observations": 12740,
      "number_observations_unique": 1692,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.071
        },
        {
          "type": "R(meas)",
          "value": 0.076
        },
        {
          "type": "I/SigI",
          "value": 25.130
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.530
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.470,3.210],
      "number_observations": 11766,
      "number_observations_unique": 1571,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "R(meas)",
          "value": 0.059
        },
        {
          "type": "I/SigI",
          "value": 31.680
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.489
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [3.800,3.470],
      "number_observations": 10934,
      "number_observations_unique": 1468,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "R(meas)",
          "value": 0.050
        },
        {
          "type": "I/SigI",
          "value": 36.940
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.448
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.250,3.800],
      "number_observations": 9741,
      "number_observations_unique": 1316,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "R(meas)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 41.460
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.402
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [4.910,4.250],
      "number_observations": 8632,
      "number_observations_unique": 1171,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "R(meas)",
          "value": 0.041
        },
        {
          "type": "I/SigI",
          "value": 44.310
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.371
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [6.010,4.910],
      "number_observations": 7392,
      "number_observations_unique": 1006,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "R(meas)",
          "value": 0.038
        },
        {
          "type": "I/SigI",
          "value": 43.500
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.348
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [8.500,6.010],
      "number_observations": 5707,
      "number_observations_unique": 786,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "R(meas)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 45.520
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.261
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [37.730,8.500],
      "number_observations": 3028,
      "number_observations_unique": 448,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
          "type": "R(meas)",
          "value": 0.028
        },
        {
          "type": "I/SigI",
          "value": 50.110
        },
        {
          "type": "Completeness",
          "value": 97.600
        },
        {
          "type": "Redundancy",
          "value": 6.759
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 37.700 37.730 2.000
High resolution limit [Å] 1.900 8.500 1.950
R(merge) 0.0810 0.0260 0.9650
R(meas) 0.0870 0.0280 1.0560
CC(1/2) 0.999 0.999 0.632
Completeness [%] 99.3 97.6 99.3
Multiplicity 8.1 6.8 7.1


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
37.730-8.500 0.0260 0.0280 0.999 97.6 6.8
8.500-6.010 0.0310 0.0340 0.999 100.0 7.3
6.010-4.910 0.0350 0.0380 0.999 100.0 7.3
4.910-4.250 0.0380 0.0410 0.999 100.0 7.4
4.250-3.800 0.0410 0.0440 0.999 100.0 7.4
3.800-3.470 0.0460 0.0500 0.998 100.0 7.4
3.470-3.210 0.0550 0.0590 0.998 100.0 7.5
3.210-3.000 0.0710 0.0760 0.997 99.9 7.5
3.000-2.830 0.0880 0.0950 0.996 99.9 7.5
2.830-2.690 0.1140 0.1220 0.994 100.0 7.5
2.690-2.560 0.1350 0.1450 0.992 99.8 7.5
2.560-2.450 0.1710 0.1830 0.987 100.0 7.5
2.450-2.360 0.2070 0.2230 0.980 99.9 7.5
2.360-2.270 0.2600 0.2800 0.972 100.0 7.4
2.270-2.190 0.3290 0.3540 0.951 99.9 7.3
2.190-2.120 0.4000 0.4300 0.929 99.9 7.3
2.120-2.060 0.5410 0.5840 0.871 100.0 7.0
2.060-2.000 0.7090 0.7660 0.816 99.8 6.9
2.000-1.950 0.9650 1.0560 0.632 99.3 7.1
1.950-1.900 1.1850 1.3220 0.475 92.5 4.9