Data quality metrics extracted from 5s67.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": "13bfc5d59be741a050d78bd274c71f00",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 104.90,
    "b": 158.96,
    "c": 179.98,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91587],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [62.750,2.100],
    "number_observations": 1150032,
    "number_observations_unique": 172579,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.087
      },
      {
        "type": "R(meas)",
        "value": 0.094
      },
      {
        "type": "I/SigI",
        "value": 11.660
      },
      {
        "type": "Completeness",
        "value": 98.400
      },
      {
        "type": "Redundancy",
        "value": 6.664
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.150,2.100],
      "number_observations": 76102,
      "number_observations_unique": 12791,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.708
        },
        {
          "type": "R(meas)",
          "value": 2.973
        },
        {
          "type": "I/SigI",
          "value": 0.630
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 5.950
        },
        {
          "type": "CC(1/2)",
          "value": 0.245
        }
      ]
    },
    {
      "resolution_limits": [2.210,2.150],
      "number_observations": 79438,
      "number_observations_unique": 12519,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.045
        },
        {
          "type": "R(meas)",
          "value": 2.230
        },
        {
          "type": "I/SigI",
          "value": 0.880
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.345
        },
        {
          "type": "CC(1/2)",
          "value": 0.370
        }
      ]
    },
    {
      "resolution_limits": [2.280,2.210],
      "number_observations": 64995,
      "number_observations_unique": 10343,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.453
        },
        {
          "type": "R(meas)",
          "value": 2.674
        },
        {
          "type": "I/SigI",
          "value": 0.770
        },
        {
          "type": "Completeness",
          "value": 84.700
        },
        {
          "type": "Redundancy",
          "value": 6.284
        },
        {
          "type": "CC(1/2)",
          "value": 0.374
        }
      ]
    },
    {
      "resolution_limits": [2.350,2.280],
      "number_observations": 83152,
      "number_observations_unique": 11769,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.194
        },
        {
          "type": "R(meas)",
          "value": 1.288
        },
        {
          "type": "I/SigI",
          "value": 1.630
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 7.065
        },
        {
          "type": "CC(1/2)",
          "value": 0.632
        }
      ]
    },
    {
      "resolution_limits": [2.420,2.350],
      "number_observations": 80743,
      "number_observations_unique": 11489,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.905
        },
        {
          "type": "R(meas)",
          "value": 0.977
        },
        {
          "type": "I/SigI",
          "value": 2.150
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.028
        },
        {
          "type": "CC(1/2)",
          "value": 0.756
        }
      ]
    },
    {
      "resolution_limits": [2.510,2.420],
      "number_observations": 76645,
      "number_observations_unique": 11100,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.671
        },
        {
          "type": "R(meas)",
          "value": 0.725
        },
        {
          "type": "I/SigI",
          "value": 2.850
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.905
        },
        {
          "type": "CC(1/2)",
          "value": 0.840
        }
      ]
    },
    {
      "resolution_limits": [2.600,2.510],
      "number_observations": 72792,
      "number_observations_unique": 10758,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.512
        },
        {
          "type": "R(meas)",
          "value": 0.555
        },
        {
          "type": "I/SigI",
          "value": 3.680
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.766
        },
        {
          "type": "CC(1/2)",
          "value": 0.896
        }
      ]
    },
    {
      "resolution_limits": [2.710,2.600],
      "number_observations": 66989,
      "number_observations_unique": 10304,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.400
        },
        {
          "type": "R(meas)",
          "value": 0.435
        },
        {
          "type": "I/SigI",
          "value": 4.580
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.501
        },
        {
          "type": "CC(1/2)",
          "value": 0.929
        }
      ]
    },
    {
      "resolution_limits": [2.830,2.710],
      "number_observations": 67345,
      "number_observations_unique": 9942,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.290
        },
        {
          "type": "R(meas)",
          "value": 0.314
        },
        {
          "type": "I/SigI",
          "value": 6.270
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.774
        },
        {
          "type": "CC(1/2)",
          "value": 0.964
        }
      ]
    },
    {
      "resolution_limits": [2.970,2.830],
      "number_observations": 66839,
      "number_observations_unique": 9478,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.210
        },
        {
          "type": "R(meas)",
          "value": 0.227
        },
        {
          "type": "I/SigI",
          "value": 8.590
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.052
        },
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    },
    {
      "resolution_limits": [3.130,2.970],
      "number_observations": 63075,
      "number_observations_unique": 9055,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.142
        },
        {
          "type": "R(meas)",
          "value": 0.153
        },
        {
          "type": "I/SigI",
          "value": 12.030
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.966
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [3.320,3.130],
      "number_observations": 58749,
      "number_observations_unique": 8577,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.103
        },
        {
          "type": "R(meas)",
          "value": 0.112
        },
        {
          "type": "I/SigI",
          "value": 15.840
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.850
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.550,3.320],
      "number_observations": 52146,
      "number_observations_unique": 8059,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.077
        },
        {
          "type": "R(meas)",
          "value": 0.084
        },
        {
          "type": "I/SigI",
          "value": 19.520
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.471
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.830,3.550],
      "number_observations": 45736,
      "number_observations_unique": 6857,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.061
        },
        {
          "type": "R(meas)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 24.560
        },
        {
          "type": "Completeness",
          "value": 91.000
        },
        {
          "type": "Redundancy",
          "value": 6.670
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.200,3.830],
      "number_observations": 47790,
      "number_observations_unique": 6966,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "R(meas)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 31.010
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.860
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.700,4.200],
      "number_observations": 42773,
      "number_observations_unique": 6301,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.039
        },
        {
          "type": "R(meas)",
          "value": 0.042
        },
        {
          "type": "I/SigI",
          "value": 36.680
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.788
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [5.420,4.700],
      "number_observations": 34994,
      "number_observations_unique": 5606,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "R(meas)",
          "value": 0.041
        },
        {
          "type": "I/SigI",
          "value": 36.660
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.242
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [6.640,5.420],
      "number_observations": 32674,
      "number_observations_unique": 4765,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.039
        },
        {
          "type": "R(meas)",
          "value": 0.042
        },
        {
          "type": "I/SigI",
          "value": 37.480
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.857
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [9.390,6.640],
      "number_observations": 24042,
      "number_observations_unique": 3745,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "R(meas)",
          "value": 0.035
        },
        {
          "type": "I/SigI",
          "value": 44.370
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.420
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [62.750,9.390],
      "number_observations": 13013,
      "number_observations_unique": 2155,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
        },
        {
          "type": "R(meas)",
          "value": 0.030
        },
        {
          "type": "I/SigI",
          "value": 51.680
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 6.039
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 62.750 62.750 2.210
High resolution limit [Å] 2.100 9.390 2.150
R(merge) 0.0870 0.0270 2.0450
R(meas) 0.0940 0.0300 2.2300
CC(1/2) 0.999 0.999 0.370
Completeness [%] 98.4 99.3 99.8
Multiplicity 6.7 6.0 6.3


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
62.750-9.390 0.0270 0.0300 0.999 99.3 6.0
9.390-6.640 0.0320 0.0350 0.999 99.8 6.4
6.640-5.420 0.0390 0.0420 0.999 100.0 6.9
5.420-4.700 0.0370 0.0410 0.999 99.9 6.2
4.700-4.200 0.0390 0.0420 0.999 99.9 6.8
4.200-3.830 0.0480 0.0520 0.998 99.9 6.9
3.830-3.550 0.0610 0.0660 0.998 91.0 6.7
3.550-3.320 0.0770 0.0840 0.997 99.9 6.5
3.320-3.130 0.1030 0.1120 0.995 99.9 6.9
3.130-2.970 0.1420 0.1530 0.991 99.9 7.0
2.970-2.830 0.2100 0.2270 0.982 99.9 8.1
2.830-2.710 0.2900 0.3140 0.964 99.9 6.8
2.710-2.600 0.4000 0.4350 0.929 100.0 6.5
2.600-2.510 0.5120 0.5550 0.896 99.9 6.8
2.510-2.420 0.6710 0.7250 0.840 99.9 6.9
2.420-2.350 0.9050 0.9770 0.756 99.9 7.0
2.350-2.280 1.1940 1.2880 0.632 99.8 8.1
2.280-2.210 2.4530 2.6740 0.374 84.7 6.3
2.210-2.150 2.0450 2.2300 0.370 99.8 6.3
2.150-2.100 2.7080 2.9730 0.245 99.7 6.0