Data quality metrics extracted from 5nan.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": "e2a539d6961772e16e81b5ce2c529ee9",
  "space_group_name": "P 1 2 1",
  "unit_cell": {
    "a": 100.002,
    "b": 66.103,
    "c": 104.119,
    "alpha": 90.00,
    "beta": 90.13,
    "gamma": 90.00
  },
  "wavelengths": [0.99992],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [66.100,3.300],
    "number_observations": 69444,
    "number_observations_unique": 20621,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.149
      },
      {
        "type": "R(meas)",
        "value": 0.178
      },
      {
        "type": "I/SigI",
        "value": 5.710
      },
      {
        "type": "Completeness",
        "value": 99.100
      },
      {
        "type": "Redundancy",
        "value": 3.368
      },
      {
        "type": "CC(1/2)",
        "value": 0.997
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.390,3.300],
      "number_observations_unique": 1494,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.483
        },
        {
          "type": "R(meas)",
          "value": 4.151
        },
        {
          "type": "I/SigI",
          "value": 0.320
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.337
        },
        {
          "type": "CC(1/2)",
          "value": 0.184
        }
      ]
    },
    {
      "resolution_limits": [3.480,3.390],
      "number_observations_unique": 1477,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.360
        },
        {
          "type": "R(meas)",
          "value": 2.843
        },
        {
          "type": "I/SigI",
          "value": 0.460
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 3.204
        },
        {
          "type": "CC(1/2)",
          "value": 0.312
        }
      ]
    },
    {
      "resolution_limits": [3.580,3.480],
      "number_observations_unique": 1434,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.622
        },
        {
          "type": "R(meas)",
          "value": 1.932
        },
        {
          "type": "I/SigI",
          "value": 0.710
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 3.337
        },
        {
          "type": "CC(1/2)",
          "value": 0.429
        }
      ]
    },
    {
      "resolution_limits": [3.690,3.580],
      "number_observations_unique": 1407,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.351
        },
        {
          "type": "R(meas)",
          "value": 1.603
        },
        {
          "type": "I/SigI",
          "value": 0.900
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 3.403
        },
        {
          "type": "CC(1/2)",
          "value": 0.564
        }
      ]
    },
    {
      "resolution_limits": [3.810,3.690],
      "number_observations_unique": 1331,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.889
        },
        {
          "type": "R(meas)",
          "value": 1.047
        },
        {
          "type": "I/SigI",
          "value": 1.350
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.539
        },
        {
          "type": "CC(1/2)",
          "value": 0.876
        }
      ]
    },
    {
      "resolution_limits": [3.940,3.810],
      "number_observations_unique": 1315,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.643
        },
        {
          "type": "R(meas)",
          "value": 0.758
        },
        {
          "type": "I/SigI",
          "value": 1.840
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 3.529
        },
        {
          "type": "CC(1/2)",
          "value": 0.864
        }
      ]
    },
    {
      "resolution_limits": [4.090,3.940],
      "number_observations_unique": 1282,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.457
        },
        {
          "type": "R(meas)",
          "value": 0.541
        },
        {
          "type": "I/SigI",
          "value": 2.550
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.497
        },
        {
          "type": "CC(1/2)",
          "value": 0.925
        }
      ]
    },
    {
      "resolution_limits": [4.260,4.090],
      "number_observations_unique": 1216,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.346
        },
        {
          "type": "R(meas)",
          "value": 0.411
        },
        {
          "type": "I/SigI",
          "value": 3.350
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 3.462
        },
        {
          "type": "CC(1/2)",
          "value": 0.937
        }
      ]
    },
    {
      "resolution_limits": [4.450,4.260],
      "number_observations_unique": 1177,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.255
        },
        {
          "type": "R(meas)",
          "value": 0.306
        },
        {
          "type": "I/SigI",
          "value": 4.360
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.280
        },
        {
          "type": "CC(1/2)",
          "value": 0.960
        }
      ]
    },
    {
      "resolution_limits": [4.670,4.450],
      "number_observations_unique": 1111,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.174
        },
        {
          "type": "R(meas)",
          "value": 0.209
        },
        {
          "type": "I/SigI",
          "value": 5.870
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.318
        },
        {
          "type": "CC(1/2)",
          "value": 0.981
        }
      ]
    },
    {
      "resolution_limits": [4.920,4.670],
      "number_observations_unique": 1076,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.143
        },
        {
          "type": "R(meas)",
          "value": 0.171
        },
        {
          "type": "I/SigI",
          "value": 7.050
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 3.309
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [5.220,4.920],
      "number_observations_unique": 1013,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.131
        },
        {
          "type": "R(meas)",
          "value": 0.155
        },
        {
          "type": "I/SigI",
          "value": 8.310
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 3.525
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [5.580,5.220],
      "number_observations_unique": 961,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.125
        },
        {
          "type": "R(meas)",
          "value": 0.148
        },
        {
          "type": "I/SigI",
          "value": 8.600
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.456
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [6.020,5.580],
      "number_observations_unique": 881,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.115
        },
        {
          "type": "R(meas)",
          "value": 0.137
        },
        {
          "type": "I/SigI",
          "value": 9.140
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 3.428
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [6.600,6.020],
      "number_observations_unique": 821,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.104
        },
        {
          "type": "R(meas)",
          "value": 0.126
        },
        {
          "type": "I/SigI",
          "value": 9.760
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 3.180
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [7.380,6.600],
      "number_observations_unique": 736,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.077
        },
        {
          "type": "R(meas)",
          "value": 0.093
        },
        {
          "type": "I/SigI",
          "value": 12.990
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 3.193
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [8.520,7.380],
      "number_observations_unique": 655,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.060
        },
        {
          "type": "R(meas)",
          "value": 0.072
        },
        {
          "type": "I/SigI",
          "value": 17.310
        },
        {
          "type": "Completeness",
          "value": 98.100
        },
        {
          "type": "Redundancy",
          "value": 3.408
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [10.440,8.520],
      "number_observations_unique": 558,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "R(meas)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 22.430
        },
        {
          "type": "Completeness",
          "value": 98.200
        },
        {
          "type": "Redundancy",
          "value": 3.271
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [14.760,10.440],
      "number_observations_unique": 435,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "R(meas)",
          "value": 0.044
        },
        {
          "type": "I/SigI",
          "value": 25.020
        },
        {
          "type": "Completeness",
          "value": 96.000
        },
        {
          "type": "Redundancy",
          "value": 3.007
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [66.100,14.760],
      "number_observations_unique": 241,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "R(meas)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 27.230
        },
        {
          "type": "Completeness",
          "value": 92.000
        },
        {
          "type": "Redundancy",
          "value": 3.170
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 66.100 66.100 3.480
High resolution limit [Å] 3.300 14.760 3.390
R(merge) 0.1490 0.0290 2.3600
R(meas) 0.1780 0.0340 2.8430
CC(1/2) 0.997 0.999 0.312
Completeness [%] 99.1 92.0 98.9
Multiplicity 3.4 3.2 3.2

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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
66.100-14.760 0.0290 0.0340 0.999 92.0 3.2
14.760-10.440 0.0360 0.0440 0.996 96.0 3.0
10.440-8.520 0.0430 0.0520 0.995 98.2 3.3
8.520-7.380 0.0600 0.0720 0.995 98.1 3.4
7.380-6.600 0.0770 0.0930 0.991 99.2 3.2
6.600-6.020 0.1040 0.1260 0.986 99.2 3.2
6.020-5.580 0.1150 0.1370 0.988 98.8 3.4
5.580-5.220 0.1250 0.1480 0.985 99.5 3.5
5.220-4.920 0.1310 0.1550 0.990 99.2 3.5
4.920-4.670 0.1430 0.1710 0.988 99.4 3.3
4.670-4.450 0.1740 0.2090 0.981 99.6 3.3
4.450-4.260 0.2550 0.3060 0.960 99.5 3.3
4.260-4.090 0.3460 0.4110 0.937 99.1 3.5
4.090-3.940 0.4570 0.5410 0.925 99.5 3.5
3.940-3.810 0.6430 0.7580 0.864 99.4 3.5
3.810-3.690 0.8890 1.0470 0.876 99.6 3.5
3.690-3.580 1.3510 1.6030 0.564 99.1 3.4
3.580-3.480 1.6220 1.9320 0.429 99.3 3.3
3.480-3.390 2.3600 2.8430 0.312 98.9 3.2
3.390-3.300 3.4830 4.1510 0.184 99.5 3.3