Data quality metrics extracted from 4ycg.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": "8f88c18d1d02b404f00f321413566260",
  "space_group_name": "P 32 2 1",
  "unit_cell": {
    "a": 120.78,
    "b": 120.78,
    "c": 220.62,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.28230,0.97918],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,3.300],
    "number_observations": 664651,
    "number_observations_unique": 54034,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.264
      },
      {
        "type": "R(meas)",
        "value": 0.276
      },
      {
        "type": "I/SigI",
        "value": 7.580
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 23.3
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.390,3.300],
      "number_observations": 49515,
      "number_observations_unique": 3987,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.553
        },
        {
          "type": "R(meas)",
          "value": 4.749
        },
        {
          "type": "I/SigI",
          "value": 0.550
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 23.9
        }
      ]
    },
    {
      "resolution_limits": [3.480,3.390],
      "number_observations": 48594,
      "number_observations_unique": 3904,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 3.232
        },
        {
          "type": "R(meas)",
          "value": 3.371
        },
        {
          "type": "I/SigI",
          "value": 0.780
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.580,3.480],
      "number_observations": 47317,
      "number_observations_unique": 3813,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.320
        },
        {
          "type": "R(meas)",
          "value": 2.421
        },
        {
          "type": "I/SigI",
          "value": 1.160
        },
        {
          "type": "Completeness",
          "value": 100.000
        }
      ]
    },
    {
      "resolution_limits": [3.690,3.580],
      "number_observations": 46148,
      "number_observations_unique": 3707,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.688
        },
        {
          "type": "R(meas)",
          "value": 1.762
        },
        {
          "type": "I/SigI",
          "value": 1.590
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.810,3.690],
      "number_observations": 44440,
      "number_observations_unique": 3581,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.330
        },
        {
          "type": "R(meas)",
          "value": 1.388
        },
        {
          "type": "I/SigI",
          "value": 2.150
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [3.940,3.810],
      "number_observations": 42441,
      "number_observations_unique": 3423,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.959
        },
        {
          "type": "R(meas)",
          "value": 1.001
        },
        {
          "type": "I/SigI",
          "value": 3.010
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [4.090,3.940],
      "number_observations": 41053,
      "number_observations_unique": 3311,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.736
        },
        {
          "type": "R(meas)",
          "value": 0.768
        },
        {
          "type": "I/SigI",
          "value": 4.010
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [4.260,4.090],
      "number_observations": 40489,
      "number_observations_unique": 3280,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.554
        },
        {
          "type": "R(meas)",
          "value": 0.579
        },
        {
          "type": "I/SigI",
          "value": 5.420
        },
        {
          "type": "Completeness",
          "value": 99.900
        }
      ]
    },
    {
      "resolution_limits": [4.450,4.260],
      "number_observations": 37481,
      "number_observations_unique": 3043,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.412
        },
        {
          "type": "R(meas)",
          "value": 0.430
        },
        {
          "type": "I/SigI",
          "value": 7.550
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [4.670,4.450],
      "number_observations": 36162,
      "number_observations_unique": 2938,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.338
        },
        {
          "type": "R(meas)",
          "value": 0.353
        },
        {
          "type": "I/SigI",
          "value": 9.110
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [4.920,4.670],
      "number_observations": 34191,
      "number_observations_unique": 2793,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.288
        },
        {
          "type": "R(meas)",
          "value": 0.301
        },
        {
          "type": "I/SigI",
          "value": 10.850
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [5.220,4.920],
      "number_observations": 32274,
      "number_observations_unique": 2641,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.274
        },
        {
          "type": "R(meas)",
          "value": 0.286
        },
        {
          "type": "I/SigI",
          "value": 11.110
        },
        {
          "type": "Completeness",
          "value": 99.800
        }
      ]
    },
    {
      "resolution_limits": [5.580,5.220],
      "number_observations": 30096,
      "number_observations_unique": 2449,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.245
        },
        {
          "type": "R(meas)",
          "value": 0.256
        },
        {
          "type": "I/SigI",
          "value": 12.390
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [6.030,5.580],
      "number_observations": 28951,
      "number_observations_unique": 2343,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.256
        },
        {
          "type": "R(meas)",
          "value": 0.267
        },
        {
          "type": "I/SigI",
          "value": 12.610
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [6.600,6.030],
      "number_observations": 25980,
      "number_observations_unique": 2127,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.220
        },
        {
          "type": "R(meas)",
          "value": 0.230
        },
        {
          "type": "I/SigI",
          "value": 14.630
        },
        {
          "type": "Completeness",
          "value": 99.600
        }
      ]
    },
    {
      "resolution_limits": [7.380,6.600],
      "number_observations": 23168,
      "number_observations_unique": 1919,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.187
        },
        {
          "type": "R(meas)",
          "value": 0.196
        },
        {
          "type": "I/SigI",
          "value": 17.520
        },
        {
          "type": "Completeness",
          "value": 99.500
        }
      ]
    },
    {
      "resolution_limits": [8.520,7.380],
      "number_observations": 19587,
      "number_observations_unique": 1668,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.143
        },
        {
          "type": "R(meas)",
          "value": 0.150
        },
        {
          "type": "I/SigI",
          "value": 20.620
        },
        {
          "type": "Completeness",
          "value": 99.500
        }
      ]
    },
    {
      "resolution_limits": [10.440,8.520],
      "number_observations": 17274,
      "number_observations_unique": 1434,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.130
        },
        {
          "type": "R(meas)",
          "value": 0.135
        },
        {
          "type": "I/SigI",
          "value": 23.680
        },
        {
          "type": "Completeness",
          "value": 99.400
        }
      ]
    },
    {
      "resolution_limits": [14.760,10.440],
      "number_observations": 13199,
      "number_observations_unique": 1095,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.108
        },
        {
          "type": "R(meas)",
          "value": 0.112
        },
        {
          "type": "I/SigI",
          "value": 25.500
        },
        {
          "type": "Completeness",
          "value": 98.800
        }
      ]
    },
    {
      "resolution_limits": [50,14.760],
      "number_observations": 6291,
      "number_observations_unique": 578,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.106
        },
        {
          "type": "R(meas)",
          "value": 0.111
        },
        {
          "type": "I/SigI",
          "value": 25.150
        },
        {
          "type": "Completeness",
          "value": 95.200
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 50.000 3.480
High resolution limit [Å] 3.300 14.760 3.390
R(merge) 0.2640 0.1060 3.2320
R(meas) 0.2760 0.1110 3.3710
Completeness [%] 99.8 95.2 100.0
Multiplicity 23.3 - -


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

Resolution [Å] R(merge) R(meas) Completeness [%] Multiplicity
50.000-14.760 0.1060 0.1110 95.2 -
14.760-10.440 0.1080 0.1120 98.8 -
10.440-8.520 0.1300 0.1350 99.4 -
8.520-7.380 0.1430 0.1500 99.5 -
7.380-6.600 0.1870 0.1960 99.5 -
6.600-6.030 0.2200 0.2300 99.6 -
6.030-5.580 0.2560 0.2670 99.7 -
5.580-5.220 0.2450 0.2560 99.7 -
5.220-4.920 0.2740 0.2860 99.8 -
4.920-4.670 0.2880 0.3010 99.8 -
4.670-4.450 0.3380 0.3530 99.8 -
4.450-4.260 0.4120 0.4300 99.8 -
4.260-4.090 0.5540 0.5790 99.9 -
4.090-3.940 0.7360 0.7680 99.9 -
3.940-3.810 0.9590 1.0010 99.9 -
3.810-3.690 1.3300 1.3880 99.9 -
3.690-3.580 1.6880 1.7620 99.9 -
3.580-3.480 2.3200 2.4210 100.0 -
3.480-3.390 3.2320 3.3710 100.0 -
3.390-3.300 4.5530 4.7490 100.0 23.9