Data quality metrics extracted from 7sei.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": "7192f59f0978bc03914e9bc372bbc76e",
  "space_group_name": "P 41 21 2",
  "unit_cell": {
    "a": 157.73,
    "b": 157.73,
    "c": 113.82,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97946],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [39.430,3.650],
    "number_observations": 438256,
    "number_observations_unique": 16483,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.213
      },
      {
        "type": "R(meas)",
        "value": 0.217
      },
      {
        "type": "I/SigI",
        "value": 15.300
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 26.588
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.740,3.650],
      "number_observations": 33233,
      "number_observations_unique": 1214,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.745
        },
        {
          "type": "R(meas)",
          "value": 2.796
        },
        {
          "type": "I/SigI",
          "value": 1.650
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 27.375
        },
        {
          "type": "CC(1/2)",
          "value": 0.632
        }
      ]
    },
    {
      "resolution_limits": [3.850,3.740],
      "number_observations": 31204,
      "number_observations_unique": 1158,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.108
        },
        {
          "type": "R(meas)",
          "value": 2.148
        },
        {
          "type": "I/SigI",
          "value": 2.150
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 26.946
        },
        {
          "type": "CC(1/2)",
          "value": 0.708
        }
      ]
    },
    {
      "resolution_limits": [3.960,3.850],
      "number_observations": 29784,
      "number_observations_unique": 1123,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.634
        },
        {
          "type": "R(meas)",
          "value": 1.666
        },
        {
          "type": "I/SigI",
          "value": 2.700
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 26.522
        },
        {
          "type": "CC(1/2)",
          "value": 0.846
        }
      ]
    },
    {
      "resolution_limits": [4.080,3.960],
      "number_observations": 28265,
      "number_observations_unique": 1095,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.299
        },
        {
          "type": "R(meas)",
          "value": 1.325
        },
        {
          "type": "I/SigI",
          "value": 3.490
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 25.813
        },
        {
          "type": "CC(1/2)",
          "value": 0.882
        }
      ]
    },
    {
      "resolution_limits": [4.210,4.080],
      "number_observations": 24823,
      "number_observations_unique": 1072,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.988
        },
        {
          "type": "R(meas)",
          "value": 1.011
        },
        {
          "type": "I/SigI",
          "value": 4.300
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 23.156
        },
        {
          "type": "CC(1/2)",
          "value": 0.912
        }
      ]
    },
    {
      "resolution_limits": [4.360,4.210],
      "number_observations": 27027,
      "number_observations_unique": 1035,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.762
        },
        {
          "type": "R(meas)",
          "value": 0.777
        },
        {
          "type": "I/SigI",
          "value": 5.890
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 26.113
        },
        {
          "type": "CC(1/2)",
          "value": 0.954
        }
      ]
    },
    {
      "resolution_limits": [4.530,4.360],
      "number_observations": 28802,
      "number_observations_unique": 1010,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.579
        },
        {
          "type": "R(meas)",
          "value": 0.589
        },
        {
          "type": "I/SigI",
          "value": 8.040
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 28.517
        },
        {
          "type": "CC(1/2)",
          "value": 0.973
        }
      ]
    },
    {
      "resolution_limits": [4.710,4.530],
      "number_observations": 27566,
      "number_observations_unique": 962,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.438
        },
        {
          "type": "R(meas)",
          "value": 0.446
        },
        {
          "type": "I/SigI",
          "value": 10.360
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 28.655
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [4.920,4.710],
      "number_observations": 26325,
      "number_observations_unique": 928,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.370
        },
        {
          "type": "R(meas)",
          "value": 0.377
        },
        {
          "type": "I/SigI",
          "value": 12.040
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 28.367
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    },
    {
      "resolution_limits": [5.160,4.920],
      "number_observations": 25114,
      "number_observations_unique": 888,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.358
        },
        {
          "type": "R(meas)",
          "value": 0.365
        },
        {
          "type": "I/SigI",
          "value": 12.240
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 28.282
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [5.440,5.160],
      "number_observations": 24317,
      "number_observations_unique": 869,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.329
        },
        {
          "type": "R(meas)",
          "value": 0.335
        },
        {
          "type": "I/SigI",
          "value": 13.020
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 27.983
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [5.770,5.440],
      "number_observations": 22006,
      "number_observations_unique": 795,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.280
        },
        {
          "type": "R(meas)",
          "value": 0.285
        },
        {
          "type": "I/SigI",
          "value": 15.160
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 27.681
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [6.170,5.770],
      "number_observations": 20670,
      "number_observations_unique": 759,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.267
        },
        {
          "type": "R(meas)",
          "value": 0.272
        },
        {
          "type": "I/SigI",
          "value": 15.520
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 27.233
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [6.660,6.170],
      "number_observations": 19138,
      "number_observations_unique": 717,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.194
        },
        {
          "type": "R(meas)",
          "value": 0.197
        },
        {
          "type": "I/SigI",
          "value": 19.540
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 26.692
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [7.300,6.660],
      "number_observations": 16949,
      "number_observations_unique": 660,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.145
        },
        {
          "type": "R(meas)",
          "value": 0.148
        },
        {
          "type": "I/SigI",
          "value": 24.550
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 25.680
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [8.160,7.300],
      "number_observations": 13822,
      "number_observations_unique": 609,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.097
        },
        {
          "type": "R(meas)",
          "value": 0.099
        },
        {
          "type": "I/SigI",
          "value": 31.710
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 22.696
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [9.420,8.160],
      "number_observations": 13261,
      "number_observations_unique": 539,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "R(meas)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 51.830
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 24.603
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [11.540,9.420],
      "number_observations": 12336,
      "number_observations_unique": 468,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "R(meas)",
          "value": 0.043
        },
        {
          "type": "I/SigI",
          "value": 70.240
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 26.359
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [16.320,11.540],
      "number_observations": 9201,
      "number_observations_unique": 373,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "R(meas)",
          "value": 0.041
        },
        {
          "type": "I/SigI",
          "value": 76.610
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 24.668
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [39.430,16.320],
      "number_observations": 4413,
      "number_observations_unique": 209,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.039
        },
        {
          "type": "R(meas)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 76.320
        },
        {
          "type": "Completeness",
          "value": 91.700
        },
        {
          "type": "Redundancy",
          "value": 21.115
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 39.430 39.430 3.850
High resolution limit [Å] 3.650 16.320 3.740
R(merge) 0.2130 0.0390 2.1080
R(meas) 0.2170 0.0400 2.1480
CC(1/2) 0.999 1.000 0.708
Completeness [%] 99.9 91.7 99.9
Multiplicity 26.6 21.1 26.9


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
39.430-16.320 0.0390 0.0400 1.000 91.7 21.1
16.320-11.540 0.0400 0.0410 1.000 100.0 24.7
11.540-9.420 0.0420 0.0430 1.000 100.0 26.4
9.420-8.160 0.0550 0.0560 0.999 100.0 24.6
8.160-7.300 0.0970 0.0990 0.999 99.8 22.7
7.300-6.660 0.1450 0.1480 0.998 100.0 25.7
6.660-6.170 0.1940 0.1970 0.998 100.0 26.7
6.170-5.770 0.2670 0.2720 0.994 100.0 27.2
5.770-5.440 0.2800 0.2850 0.991 100.0 27.7
5.440-5.160 0.3290 0.3350 0.991 100.0 28.0
5.160-4.920 0.3580 0.3650 0.990 100.0 28.3
4.920-4.710 0.3700 0.3770 0.989 100.0 28.4
4.710-4.530 0.4380 0.4460 0.986 100.0 28.7
4.530-4.360 0.5790 0.5890 0.973 100.0 28.5
4.360-4.210 0.7620 0.7770 0.954 100.0 26.1
4.210-4.080 0.9880 1.0110 0.912 100.0 23.2
4.080-3.960 1.2990 1.3250 0.882 100.0 25.8
3.960-3.850 1.6340 1.6660 0.846 100.0 26.5
3.850-3.740 2.1080 2.1480 0.708 99.9 26.9
3.740-3.650 2.7450 2.7960 0.632 100.0 27.4