Data quality metrics extracted from 7vcl.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": "7e93e2c85730d00646ae61a7829a5994",
  "space_group_name": "I 2 2 2",
  "unit_cell": {
    "a": 64.474,
    "b": 78.040,
    "c": 105.845,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,3.200],
    "number_observations": 54863,
    "number_observations_unique": 4730,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.171
      },
      {
        "type": "R(meas)",
        "value": 0.179
      },
      {
        "type": "R(pim)",
        "value": 0.051
      },
      {
        "type": "I/SigI",
        "value": 3.200
      },
      {
        "type": "Completeness",
        "value": 99.100
      },
      {
        "type": "Redundancy",
        "value": 11.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.260,3.200],
      "number_observations_unique": 208,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.747
        },
        {
          "type": "R(meas)",
          "value": 0.790
        },
        {
          "type": "R(pim)",
          "value": 0.249
        },
        {
          "type": "Completeness",
          "value": 92.000
        },
        {
          "type": "Redundancy",
          "value": 9.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.503
        }
      ]
    },
    {
      "resolution_limits": [3.310,3.260],
      "number_observations_unique": 223,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.739
        },
        {
          "type": "R(meas)",
          "value": 0.781
        },
        {
          "type": "R(pim)",
          "value": 0.245
        },
        {
          "type": "Completeness",
          "value": 94.500
        },
        {
          "type": "Redundancy",
          "value": 9.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.715
        }
      ]
    },
    {
      "resolution_limits": [3.380,3.310],
      "number_observations_unique": 228,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.730
        },
        {
          "type": "R(meas)",
          "value": 0.769
        },
        {
          "type": "R(pim)",
          "value": 0.234
        },
        {
          "type": "Completeness",
          "value": 97.900
        },
        {
          "type": "Redundancy",
          "value": 10.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.731
        }
      ]
    },
    {
      "resolution_limits": [3.450,3.380],
      "number_observations_unique": 232,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.597
        },
        {
          "type": "R(meas)",
          "value": 0.629
        },
        {
          "type": "R(pim)",
          "value": 0.193
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 10.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.909
        }
      ]
    },
    {
      "resolution_limits": [3.520,3.450],
      "number_observations_unique": 236,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.696
        },
        {
          "type": "R(meas)",
          "value": 0.731
        },
        {
          "type": "R(pim)",
          "value": 0.220
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 10.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.788
        }
      ]
    },
    {
      "resolution_limits": [3.600,3.520],
      "number_observations_unique": 226,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.589
        },
        {
          "type": "R(meas)",
          "value": 0.620
        },
        {
          "type": "R(pim)",
          "value": 0.190
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 10.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.855
        }
      ]
    },
    {
      "resolution_limits": [3.690,3.600],
      "number_observations_unique": 245,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.498
        },
        {
          "type": "R(meas)",
          "value": 0.523
        },
        {
          "type": "R(pim)",
          "value": 0.157
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 10.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.932
        }
      ]
    },
    {
      "resolution_limits": [3.790,3.690],
      "number_observations_unique": 226,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.451
        },
        {
          "type": "R(meas)",
          "value": 0.473
        },
        {
          "type": "R(pim)",
          "value": 0.139
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.921
        }
      ]
    },
    {
      "resolution_limits": [3.910,3.790],
      "number_observations_unique": 242,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.385
        },
        {
          "type": "R(meas)",
          "value": 0.402
        },
        {
          "type": "R(pim)",
          "value": 0.112
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.966
        }
      ]
    },
    {
      "resolution_limits": [4.030,3.910],
      "number_observations_unique": 223,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.318
        },
        {
          "type": "R(meas)",
          "value": 0.330
        },
        {
          "type": "R(pim)",
          "value": 0.090
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.974
        }
      ]
    },
    {
      "resolution_limits": [4.180,4.030],
      "number_observations_unique": 236,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.314
        },
        {
          "type": "R(meas)",
          "value": 0.327
        },
        {
          "type": "R(pim)",
          "value": 0.090
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.970
        }
      ]
    },
    {
      "resolution_limits": [4.340,4.180],
      "number_observations_unique": 239,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.273
        },
        {
          "type": "R(meas)",
          "value": 0.284
        },
        {
          "type": "R(pim)",
          "value": 0.078
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.985
        }
      ]
    },
    {
      "resolution_limits": [4.540,4.340],
      "number_observations_unique": 233,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.209
        },
        {
          "type": "R(meas)",
          "value": 0.217
        },
        {
          "type": "R(pim)",
          "value": 0.059
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [4.780,4.540],
      "number_observations_unique": 242,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.201
        },
        {
          "type": "R(meas)",
          "value": 0.209
        },
        {
          "type": "R(pim)",
          "value": 0.058
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [5.080,4.780],
      "number_observations_unique": 238,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.184
        },
        {
          "type": "R(meas)",
          "value": 0.192
        },
        {
          "type": "R(pim)",
          "value": 0.054
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [5.470,5.080],
      "number_observations_unique": 241,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.170
        },
        {
          "type": "R(meas)",
          "value": 0.177
        },
        {
          "type": "R(pim)",
          "value": 0.051
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [6.020,5.470],
      "number_observations_unique": 248,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.179
        },
        {
          "type": "R(meas)",
          "value": 0.187
        },
        {
          "type": "R(pim)",
          "value": 0.053
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [6.890,6.020],
      "number_observations_unique": 241,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.135
        },
        {
          "type": "R(meas)",
          "value": 0.141
        },
        {
          "type": "R(pim)",
          "value": 0.039
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [8.670,6.890],
      "number_observations_unique": 247,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.088
        },
        {
          "type": "R(meas)",
          "value": 0.092
        },
        {
          "type": "R(pim)",
          "value": 0.026
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [50.000,8.670],
      "number_observations_unique": 276,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "R(meas)",
          "value": 0.062
        },
        {
          "type": "R(pim)",
          "value": 0.018
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 10.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 50.000 3.310
High resolution limit [Å] 3.200 8.670 3.260
R(merge) 0.1710 0.0590 0.7390
R(meas) 0.1790 0.0620 0.7810
R(pim) 0.0510 0.0180 0.2450
CC(1/2) - 0.999 0.715
Completeness [%] 99.1 99.6 94.5
Multiplicity 11.6 10.7 9.3


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
50.000-8.670 0.0590 0.0620 0.0180 0.999 99.6 10.7
8.670-6.890 0.0880 0.0920 0.0260 0.998 100.0 12.3
6.890-6.020 0.1350 0.1410 0.0390 0.996 100.0 12.9
6.020-5.470 0.1790 0.1870 0.0530 0.990 100.0 12.4
5.470-5.080 0.1700 0.1770 0.0510 0.992 100.0 11.7
5.080-4.780 0.1840 0.1920 0.0540 0.990 100.0 12.2
4.780-4.540 0.2010 0.2090 0.0580 0.990 100.0 12.8
4.540-4.340 0.2090 0.2170 0.0590 0.993 100.0 13.0
4.340-4.180 0.2730 0.2840 0.0780 0.985 100.0 13.2
4.180-4.030 0.3140 0.3270 0.0900 0.970 100.0 12.8
4.030-3.910 0.3180 0.3300 0.0900 0.974 100.0 13.2
3.910-3.790 0.3850 0.4020 0.1120 0.966 100.0 12.5
3.790-3.690 0.4510 0.4730 0.1390 0.921 100.0 11.3
3.690-3.600 0.4980 0.5230 0.1570 0.932 100.0 10.8
3.600-3.520 0.5890 0.6200 0.1900 0.855 99.6 10.4
3.520-3.450 0.6960 0.7310 0.2200 0.788 99.6 10.8
3.450-3.380 0.5970 0.6290 0.1930 0.909 99.1 10.0
3.380-3.310 0.7300 0.7690 0.2340 0.731 97.9 10.0
3.310-3.260 0.7390 0.7810 0.2450 0.715 94.5 9.3
3.260-3.200 0.7470 0.7900 0.2490 0.503 92.0 9.2