Data quality metrics extracted from 7g31.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": "521f2876a1f1fbefab525871e53c33b5",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 83.869,
    "b": 91.719,
    "c": 119.952,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99985],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [45.86,1.710],
    "number_observations": 659179,
    "number_observations_unique": 99008,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.141
      },
      {
        "type": "R(meas)",
        "value": 0.153
      },
      {
        "type": "I/SigI",
        "value": 10.870
      },
      {
        "type": "Completeness",
        "value": 98.500
      },
      {
        "type": "Redundancy",
        "value": 6.658
      },
      {
        "type": "CC(1/2)",
        "value": 0.998
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.750,1.710],
      "number_observations": 48628,
      "number_observations_unique": 7176,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.668
        },
        {
          "type": "R(meas)",
          "value": 1.806
        },
        {
          "type": "I/SigI",
          "value": 1.280
        },
        {
          "type": "Completeness",
          "value": 97.600
        },
        {
          "type": "Redundancy",
          "value": 6.776
        },
        {
          "type": "CC(1/2)",
          "value": 0.481
        }
      ]
    },
    {
      "resolution_limits": [1.800,1.750],
      "number_observations": 45055,
      "number_observations_unique": 7000,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.327
        },
        {
          "type": "R(meas)",
          "value": 1.444
        },
        {
          "type": "I/SigI",
          "value": 1.630
        },
        {
          "type": "Completeness",
          "value": 97.600
        },
        {
          "type": "Redundancy",
          "value": 6.436
        },
        {
          "type": "CC(1/2)",
          "value": 0.569
        }
      ]
    },
    {
      "resolution_limits": [1.850,1.800],
      "number_observations": 45590,
      "number_observations_unique": 6818,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.059
        },
        {
          "type": "R(meas)",
          "value": 1.148
        },
        {
          "type": "I/SigI",
          "value": 2.130
        },
        {
          "type": "Completeness",
          "value": 97.900
        },
        {
          "type": "Redundancy",
          "value": 6.687
        },
        {
          "type": "CC(1/2)",
          "value": 0.698
        }
      ]
    },
    {
      "resolution_limits": [1.910,1.850],
      "number_observations": 45924,
      "number_observations_unique": 6652,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.880
        },
        {
          "type": "R(meas)",
          "value": 0.951
        },
        {
          "type": "I/SigI",
          "value": 2.620
        },
        {
          "type": "Completeness",
          "value": 98.000
        },
        {
          "type": "Redundancy",
          "value": 6.904
        },
        {
          "type": "CC(1/2)",
          "value": 0.795
        }
      ]
    },
    {
      "resolution_limits": [1.970,1.910],
      "number_observations": 43747,
      "number_observations_unique": 6420,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.668
        },
        {
          "type": "R(meas)",
          "value": 0.723
        },
        {
          "type": "I/SigI",
          "value": 3.460
        },
        {
          "type": "Completeness",
          "value": 98.200
        },
        {
          "type": "Redundancy",
          "value": 6.814
        },
        {
          "type": "CC(1/2)",
          "value": 0.859
        }
      ]
    },
    {
      "resolution_limits": [2.040,1.970],
      "number_observations": 41916,
      "number_observations_unique": 6267,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.498
        },
        {
          "type": "R(meas)",
          "value": 0.540
        },
        {
          "type": "I/SigI",
          "value": 4.500
        },
        {
          "type": "Completeness",
          "value": 98.400
        },
        {
          "type": "Redundancy",
          "value": 6.688
        },
        {
          "type": "CC(1/2)",
          "value": 0.931
        }
      ]
    },
    {
      "resolution_limits": [2.120,2.040],
      "number_observations": 39571,
      "number_observations_unique": 6046,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.406
        },
        {
          "type": "R(meas)",
          "value": 0.441
        },
        {
          "type": "I/SigI",
          "value": 5.490
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 6.545
        },
        {
          "type": "CC(1/2)",
          "value": 0.941
        }
      ]
    },
    {
      "resolution_limits": [2.210,2.120],
      "number_observations": 37513,
      "number_observations_unique": 5835,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.324
        },
        {
          "type": "R(meas)",
          "value": 0.353
        },
        {
          "type": "I/SigI",
          "value": 6.650
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 6.429
        },
        {
          "type": "CC(1/2)",
          "value": 0.958
        }
      ]
    },
    {
      "resolution_limits": [2.310,2.210],
      "number_observations": 39329,
      "number_observations_unique": 5623,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.280
        },
        {
          "type": "R(meas)",
          "value": 0.302
        },
        {
          "type": "I/SigI",
          "value": 8.010
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "Redundancy",
          "value": 6.994
        },
        {
          "type": "CC(1/2)",
          "value": 0.973
        }
      ]
    },
    {
      "resolution_limits": [2.420,2.310],
      "number_observations": 37555,
      "number_observations_unique": 5381,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.218
        },
        {
          "type": "R(meas)",
          "value": 0.235
        },
        {
          "type": "I/SigI",
          "value": 9.900
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 6.979
        },
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    },
    {
      "resolution_limits": [2.550,2.420],
      "number_observations": 35600,
      "number_observations_unique": 5142,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.177
        },
        {
          "type": "R(meas)",
          "value": 0.192
        },
        {
          "type": "I/SigI",
          "value": 11.390
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 6.923
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [2.700,2.550],
      "number_observations": 32323,
      "number_observations_unique": 4885,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.144
        },
        {
          "type": "R(meas)",
          "value": 0.157
        },
        {
          "type": "I/SigI",
          "value": 13.410
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 6.617
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    },
    {
      "resolution_limits": [2.890,2.700],
      "number_observations": 29348,
      "number_observations_unique": 4563,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.112
        },
        {
          "type": "R(meas)",
          "value": 0.122
        },
        {
          "type": "I/SigI",
          "value": 16.430
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 6.432
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [3.120,2.890],
      "number_observations": 29787,
      "number_observations_unique": 4284,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.091
        },
        {
          "type": "R(meas)",
          "value": 0.098
        },
        {
          "type": "I/SigI",
          "value": 20.630
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 6.953
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.420,3.120],
      "number_observations": 26638,
      "number_observations_unique": 3973,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.069
        },
        {
          "type": "R(meas)",
          "value": 0.075
        },
        {
          "type": "I/SigI",
          "value": 25.190
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 6.705
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.820,3.420],
      "number_observations": 22907,
      "number_observations_unique": 3612,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "R(meas)",
          "value": 0.063
        },
        {
          "type": "I/SigI",
          "value": 28.390
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 6.342
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [4.420,3.820],
      "number_observations": 19194,
      "number_observations_unique": 3196,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.050
        },
        {
          "type": "I/SigI",
          "value": 31.570
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 6.006
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [5.410,4.420],
      "number_observations": 17986,
      "number_observations_unique": 2739,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "R(meas)",
          "value": 0.046
        },
        {
          "type": "I/SigI",
          "value": 34.670
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 6.567
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [7.650,5.410],
      "number_observations": 13005,
      "number_observations_unique": 2147,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "R(meas)",
          "value": 0.049
        },
        {
          "type": "I/SigI",
          "value": 31.500
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 6.057
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [45.860,7.650],
      "number_observations": 7563,
      "number_observations_unique": 1249,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "R(meas)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 39.340
        },
        {
          "type": "Completeness",
          "value": 97.800
        },
        {
          "type": "Redundancy",
          "value": 6.055
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 45.860 45.860 1.800
High resolution limit [Å] 1.710 7.650 1.750
R(merge) 0.1410 0.0310 1.3270
R(meas) 0.1530 0.0340 1.4440
CC(1/2) 0.998 0.999 0.569
Completeness [%] 98.5 97.8 97.6
Multiplicity 6.7 7.1 6.4


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
45.860-7.650 0.0310 0.0340 0.999 97.8 7.1
7.650-5.410 0.0440 0.0490 0.998 98.9 7.1
5.410-4.420 0.0420 0.0460 0.999 99.3 6.6
4.420-3.820 0.0450 0.0500 0.998 99.0 6.0
3.820-3.420 0.0580 0.0630 0.997 99.4 6.3
3.420-3.120 0.0690 0.0750 0.997 99.3 6.7
3.120-2.890 0.0910 0.0980 0.996 99.3 7.0
2.890-2.700 0.1120 0.1220 0.993 99.0 6.4
2.700-2.550 0.1440 0.1570 0.989 99.3 6.6
2.550-2.420 0.1770 0.1920 0.987 98.5 6.9
2.420-2.310 0.2180 0.2350 0.982 99.0 7.0
2.310-2.210 0.2800 0.3020 0.973 98.6 7.0
2.210-2.120 0.3240 0.3530 0.958 98.5 6.4
2.120-2.040 0.4060 0.4410 0.941 98.5 6.5
2.040-1.970 0.4980 0.5400 0.931 98.4 6.7
1.970-1.910 0.6680 0.7230 0.859 98.2 6.8
1.910-1.850 0.8800 0.9510 0.795 98.0 6.9
1.850-1.800 1.0590 1.1480 0.698 97.9 6.7
1.800-1.750 1.3270 1.4440 0.569 97.6 6.4
1.750-1.710 1.6680 1.8060 0.481 97.6 6.8