Data quality metrics extracted from 5s5h.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": "a79996e07ea4d0e2f6aa0a5e3cb21479",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 104.91,
    "b": 158.89,
    "c": 179.24,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.91587],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [90.540,2.500],
    "number_observations": 693010,
    "number_observations_unique": 103319,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.124
      },
      {
        "type": "R(meas)",
        "value": 0.135
      },
      {
        "type": "I/SigI",
        "value": 10.910
      },
      {
        "type": "Completeness",
        "value": 99.300
      },
      {
        "type": "Redundancy",
        "value": 6.707
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.560,2.500],
      "number_observations": 51137,
      "number_observations_unique": 7511,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.031
        },
        {
          "type": "R(meas)",
          "value": 4.364
        },
        {
          "type": "I/SigI",
          "value": 0.510
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "Redundancy",
          "value": 6.808
        },
        {
          "type": "CC(1/2)",
          "value": 0.226
        }
      ]
    },
    {
      "resolution_limits": [2.640,2.560],
      "number_observations": 48123,
      "number_observations_unique": 7333,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.981
        },
        {
          "type": "R(meas)",
          "value": 3.239
        },
        {
          "type": "I/SigI",
          "value": 0.700
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "Redundancy",
          "value": 6.563
        },
        {
          "type": "CC(1/2)",
          "value": 0.291
        }
      ]
    },
    {
      "resolution_limits": [2.710,2.640],
      "number_observations": 46295,
      "number_observations_unique": 7106,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.458
        },
        {
          "type": "R(meas)",
          "value": 2.672
        },
        {
          "type": "I/SigI",
          "value": 0.850
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 6.515
        },
        {
          "type": "CC(1/2)",
          "value": 0.382
        }
      ]
    },
    {
      "resolution_limits": [2.800,2.710],
      "number_observations": 46154,
      "number_observations_unique": 6971,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.772
        },
        {
          "type": "R(meas)",
          "value": 1.923
        },
        {
          "type": "I/SigI",
          "value": 1.160
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 6.621
        },
        {
          "type": "CC(1/2)",
          "value": 0.542
        }
      ]
    },
    {
      "resolution_limits": [2.890,2.800],
      "number_observations": 47921,
      "number_observations_unique": 6780,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.323
        },
        {
          "type": "R(meas)",
          "value": 1.428
        },
        {
          "type": "I/SigI",
          "value": 1.610
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 7.068
        },
        {
          "type": "CC(1/2)",
          "value": 0.724
        }
      ]
    },
    {
      "resolution_limits": [2.990,2.890],
      "number_observations": 45913,
      "number_observations_unique": 6545,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.985
        },
        {
          "type": "R(meas)",
          "value": 1.063
        },
        {
          "type": "I/SigI",
          "value": 2.160
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 7.015
        },
        {
          "type": "CC(1/2)",
          "value": 0.785
        }
      ]
    },
    {
      "resolution_limits": [3.100,2.990],
      "number_observations": 44079,
      "number_observations_unique": 6326,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.661
        },
        {
          "type": "R(meas)",
          "value": 0.715
        },
        {
          "type": "I/SigI",
          "value": 3.100
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 6.968
        },
        {
          "type": "CC(1/2)",
          "value": 0.888
        }
      ]
    },
    {
      "resolution_limits": [3.230,3.100],
      "number_observations": 42102,
      "number_observations_unique": 6077,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.486
        },
        {
          "type": "R(meas)",
          "value": 0.526
        },
        {
          "type": "I/SigI",
          "value": 4.150
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 6.928
        },
        {
          "type": "CC(1/2)",
          "value": 0.930
        }
      ]
    },
    {
      "resolution_limits": [3.370,3.230],
      "number_observations": 39489,
      "number_observations_unique": 5855,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.356
        },
        {
          "type": "R(meas)",
          "value": 0.386
        },
        {
          "type": "I/SigI",
          "value": 5.520
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 6.744
        },
        {
          "type": "CC(1/2)",
          "value": 0.961
        }
      ]
    },
    {
      "resolution_limits": [3.540,3.370],
      "number_observations": 36001,
      "number_observations_unique": 5627,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.236
        },
        {
          "type": "R(meas)",
          "value": 0.257
        },
        {
          "type": "I/SigI",
          "value": 7.580
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 6.398
        },
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    },
    {
      "resolution_limits": [3.730,3.540],
      "number_observations": 34323,
      "number_observations_unique": 5254,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.197
        },
        {
          "type": "R(meas)",
          "value": 0.214
        },
        {
          "type": "I/SigI",
          "value": 9.530
        },
        {
          "type": "Completeness",
          "value": 97.700
        },
        {
          "type": "Redundancy",
          "value": 6.533
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [3.950,3.730],
      "number_observations": 35718,
      "number_observations_unique": 5063,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.128
        },
        {
          "type": "R(meas)",
          "value": 0.138
        },
        {
          "type": "I/SigI",
          "value": 13.880
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 7.055
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [4.230,3.950],
      "number_observations": 33160,
      "number_observations_unique": 4799,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.086
        },
        {
          "type": "R(meas)",
          "value": 0.093
        },
        {
          "type": "I/SigI",
          "value": 19.040
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.910
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [4.560,4.230],
      "number_observations": 30053,
      "number_observations_unique": 4470,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.060
        },
        {
          "type": "R(meas)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 24.630
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 6.723
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.000,4.560],
      "number_observations": 25983,
      "number_observations_unique": 4136,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.050
        },
        {
          "type": "R(meas)",
          "value": 0.055
        },
        {
          "type": "I/SigI",
          "value": 27.970
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.282
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.590,5.000],
      "number_observations": 23390,
      "number_observations_unique": 3753,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        },
        {
          "type": "R(meas)",
          "value": 0.057
        },
        {
          "type": "I/SigI",
          "value": 27.450
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.232
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [6.450,5.590],
      "number_observations": 22942,
      "number_observations_unique": 3327,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "R(meas)",
          "value": 0.055
        },
        {
          "type": "I/SigI",
          "value": 29.990
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.896
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [7.910,6.450],
      "number_observations": 18963,
      "number_observations_unique": 2857,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "R(meas)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 38.630
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.637
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [11.180,7.910],
      "number_observations": 13118,
      "number_observations_unique": 2230,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.023
        },
        {
          "type": "R(meas)",
          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 54.380
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 5.883
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [90.540,11.180],
      "number_observations": 8146,
      "number_observations_unique": 1299,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.019
        },
        {
          "type": "R(meas)",
          "value": 0.021
        },
        {
          "type": "I/SigI",
          "value": 67.000
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 6.271
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 90.540 90.540 2.640
High resolution limit [Å] 2.500 11.180 2.560
R(merge) 0.1240 0.0190 2.9810
R(meas) 0.1350 0.0210 3.2390
CC(1/2) 0.999 0.999 0.291
Completeness [%] 99.3 99.0 98.7
Multiplicity 6.7 6.3 6.6


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
90.540-11.180 0.0190 0.0210 0.999 99.0 6.3
11.180-7.910 0.0230 0.0260 0.999 99.6 5.9
7.910-6.450 0.0360 0.0400 0.999 100.0 6.6
6.450-5.590 0.0510 0.0550 0.999 100.0 6.9
5.590-5.000 0.0520 0.0570 0.998 100.0 6.2
5.000-4.560 0.0500 0.0550 0.998 99.8 6.3
4.560-4.230 0.0600 0.0660 0.998 99.7 6.7
4.230-3.950 0.0860 0.0930 0.997 99.9 6.9
3.950-3.730 0.1280 0.1380 0.994 99.7 8.1
3.730-3.540 0.1970 0.2140 0.985 97.7 6.5
3.540-3.370 0.2360 0.2570 0.982 99.5 6.4
3.370-3.230 0.3560 0.3860 0.961 99.4 6.7
3.230-3.100 0.4860 0.5260 0.930 99.3 6.9
3.100-2.990 0.6610 0.7150 0.888 99.4 7.0
2.990-2.890 0.9850 1.0630 0.785 99.3 7.0
2.890-2.800 1.3230 1.4280 0.724 99.1 8.1
2.800-2.710 1.7720 1.9230 0.542 99.3 6.6
2.710-2.640 2.4580 2.6720 0.382 98.9 6.5
2.640-2.560 2.9810 3.2390 0.291 98.7 6.6
2.560-2.500 4.0310 4.3640 0.226 98.7 6.8