Data quality metrics extracted from 5gmz.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": "6ed72d844b6af865276dcbf1d31f8eca",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 66.017,
    "b": 67.215,
    "c": 87.669,
    "alpha": 68.10,
    "beta": 68.43,
    "gamma": 83.07
  },
  "wavelengths": [0.97930],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,1.700],
    "number_observations": 565211,
    "number_observations_unique": 137833,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.047
      },
      {
        "type": "R(meas)",
        "value": 0.055
      },
      {
        "type": "R(pim)",
        "value": 0.027
      },
      {
        "type": "I/SigI",
        "value": 10.900
      },
      {
        "type": "Completeness",
        "value": 96.400
      },
      {
        "type": "Redundancy",
        "value": 4.100
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.730,1.700],
      "number_observations_unique": 6836,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.001
        },
        {
          "type": "R(meas)",
          "value": 1.157
        },
        {
          "type": "R(pim)",
          "value": 0.576
        },
        {
          "type": "Completeness",
          "value": 95.200
        },
        {
          "type": "Redundancy",
          "value": 4.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.646
        }
      ]
    },
    {
      "resolution_limits": [1.760,1.730],
      "number_observations_unique": 6792,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.869
        },
        {
          "type": "R(meas)",
          "value": 1.001
        },
        {
          "type": "R(pim)",
          "value": 0.496
        },
        {
          "type": "Completeness",
          "value": 95.200
        },
        {
          "type": "Redundancy",
          "value": 4.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.732
        }
      ]
    },
    {
      "resolution_limits": [1.790,1.760],
      "number_observations_unique": 6828,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.742
        },
        {
          "type": "R(meas)",
          "value": 0.855
        },
        {
          "type": "R(pim)",
          "value": 0.423
        },
        {
          "type": "Completeness",
          "value": 95.800
        },
        {
          "type": "Redundancy",
          "value": 4.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.798
        }
      ]
    },
    {
      "resolution_limits": [1.830,1.790],
      "number_observations_unique": 6849,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.664
        },
        {
          "type": "R(meas)",
          "value": 0.765
        },
        {
          "type": "R(pim)",
          "value": 0.378
        },
        {
          "type": "Completeness",
          "value": 95.500
        },
        {
          "type": "Redundancy",
          "value": 4.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.856
        }
      ]
    },
    {
      "resolution_limits": [1.870,1.830],
      "number_observations_unique": 6822,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.462
        },
        {
          "type": "R(meas)",
          "value": 0.532
        },
        {
          "type": "R(pim)",
          "value": 0.263
        },
        {
          "type": "Completeness",
          "value": 95.700
        },
        {
          "type": "Redundancy",
          "value": 4.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.910
        }
      ]
    },
    {
      "resolution_limits": [1.910,1.870],
      "number_observations_unique": 6854,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.404
        },
        {
          "type": "R(meas)",
          "value": 0.465
        },
        {
          "type": "R(pim)",
          "value": 0.229
        },
        {
          "type": "Completeness",
          "value": 95.900
        },
        {
          "type": "Redundancy",
          "value": 4.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.925
        }
      ]
    },
    {
      "resolution_limits": [1.960,1.910],
      "number_observations_unique": 6867,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.336
        },
        {
          "type": "R(meas)",
          "value": 0.387
        },
        {
          "type": "R(pim)",
          "value": 0.190
        },
        {
          "type": "Completeness",
          "value": 95.900
        },
        {
          "type": "Redundancy",
          "value": 4.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.941
        }
      ]
    },
    {
      "resolution_limits": [2.020,1.960],
      "number_observations_unique": 6858,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.276
        },
        {
          "type": "R(meas)",
          "value": 0.317
        },
        {
          "type": "R(pim)",
          "value": 0.156
        },
        {
          "type": "Completeness",
          "value": 96.100
        },
        {
          "type": "Redundancy",
          "value": 4.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.952
        }
      ]
    },
    {
      "resolution_limits": [2.070,2.020],
      "number_observations_unique": 6826,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.207
        },
        {
          "type": "R(meas)",
          "value": 0.238
        },
        {
          "type": "R(pim)",
          "value": 0.117
        },
        {
          "type": "Completeness",
          "value": 96.400
        },
        {
          "type": "Redundancy",
          "value": 4.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.974
        }
      ]
    },
    {
      "resolution_limits": [2.140,2.070],
      "number_observations_unique": 6945,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.174
        },
        {
          "type": "R(meas)",
          "value": 0.200
        },
        {
          "type": "R(pim)",
          "value": 0.098
        },
        {
          "type": "Completeness",
          "value": 96.600
        },
        {
          "type": "Redundancy",
          "value": 4.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.981
        }
      ]
    },
    {
      "resolution_limits": [2.220,2.140],
      "number_observations_unique": 6888,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.130
        },
        {
          "type": "R(meas)",
          "value": 0.150
        },
        {
          "type": "R(pim)",
          "value": 0.073
        },
        {
          "type": "Completeness",
          "value": 96.600
        },
        {
          "type": "Redundancy",
          "value": 4.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [2.310,2.220],
      "number_observations_unique": 6935,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.101
        },
        {
          "type": "R(meas)",
          "value": 0.115
        },
        {
          "type": "R(pim)",
          "value": 0.056
        },
        {
          "type": "Completeness",
          "value": 96.700
        },
        {
          "type": "Redundancy",
          "value": 4.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [2.410,2.310],
      "number_observations_unique": 6902,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.083
        },
        {
          "type": "R(meas)",
          "value": 0.096
        },
        {
          "type": "R(pim)",
          "value": 0.047
        },
        {
          "type": "Completeness",
          "value": 97.100
        },
        {
          "type": "Redundancy",
          "value": 4.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [2.540,2.410],
      "number_observations_unique": 6961,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.071
        },
        {
          "type": "R(meas)",
          "value": 0.081
        },
        {
          "type": "R(pim)",
          "value": 0.040
        },
        {
          "type": "Completeness",
          "value": 97.000
        },
        {
          "type": "Redundancy",
          "value": 4.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [2.700,2.540],
      "number_observations_unique": 6924,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "R(meas)",
          "value": 0.067
        },
        {
          "type": "R(pim)",
          "value": 0.033
        },
        {
          "type": "Completeness",
          "value": 97.300
        },
        {
          "type": "Redundancy",
          "value": 4.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [2.910,2.700],
      "number_observations_unique": 6931,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "R(meas)",
          "value": 0.053
        },
        {
          "type": "R(pim)",
          "value": 0.026
        },
        {
          "type": "Completeness",
          "value": 96.900
        },
        {
          "type": "Redundancy",
          "value": 4.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [3.200,2.910],
      "number_observations_unique": 6930,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "R(meas)",
          "value": 0.041
        },
        {
          "type": "R(pim)",
          "value": 0.020
        },
        {
          "type": "Completeness",
          "value": 97.000
        },
        {
          "type": "Redundancy",
          "value": 4.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [3.660,3.200],
      "number_observations_unique": 6894,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
          "type": "R(meas)",
          "value": 0.030
        },
        {
          "type": "R(pim)",
          "value": 0.014
        },
        {
          "type": "Completeness",
          "value": 96.200
        },
        {
          "type": "Redundancy",
          "value": 4.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [4.610,3.660],
      "number_observations_unique": 7064,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.021
        },
        {
          "type": "R(meas)",
          "value": 0.024
        },
        {
          "type": "R(pim)",
          "value": 0.011
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 4.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [50.000,4.610],
      "number_observations_unique": 6927,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.022
        },
        {
          "type": "R(meas)",
          "value": 0.025
        },
        {
          "type": "R(pim)",
          "value": 0.012
        },
        {
          "type": "Completeness",
          "value": 97.000
        },
        {
          "type": "Redundancy",
          "value": 4.200
        },
        {
          "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 1.760
High resolution limit [Å] 1.700 4.610 1.730
R(merge) 0.0470 0.0220 0.8690
R(meas) 0.0550 0.0250 1.0010
R(pim) 0.0270 0.0120 0.4960
CC(1/2) - 0.999 0.732
Completeness [%] 96.4 97.0 95.2
Multiplicity 4.1 4.2 4.0


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
50.000-4.610 0.0220 0.0250 0.0120 0.999 97.0 4.2
4.610-3.660 0.0210 0.0240 0.0110 0.999 99.0 4.2
3.660-3.200 0.0260 0.0300 0.0140 0.999 96.2 4.1
3.200-2.910 0.0360 0.0410 0.0200 0.999 97.0 4.1
2.910-2.700 0.0460 0.0530 0.0260 0.998 96.9 4.1
2.700-2.540 0.0590 0.0670 0.0330 0.997 97.3 4.1
2.540-2.410 0.0710 0.0810 0.0400 0.996 97.0 4.1
2.410-2.310 0.0830 0.0960 0.0470 0.995 97.1 4.1
2.310-2.220 0.1010 0.1150 0.0560 0.994 96.7 4.1
2.220-2.140 0.1300 0.1500 0.0730 0.991 96.6 4.1
2.140-2.070 0.1740 0.2000 0.0980 0.981 96.6 4.1
2.070-2.020 0.2070 0.2380 0.1170 0.974 96.4 4.1
2.020-1.960 0.2760 0.3170 0.1560 0.952 96.1 4.1
1.960-1.910 0.3360 0.3870 0.1900 0.941 95.9 4.1
1.910-1.870 0.4040 0.4650 0.2290 0.925 95.9 4.1
1.870-1.830 0.4620 0.5320 0.2630 0.910 95.7 4.1
1.830-1.790 0.6640 0.7650 0.3780 0.856 95.5 4.1
1.790-1.760 0.7420 0.8550 0.4230 0.798 95.8 4.1
1.760-1.730 0.8690 1.0010 0.4960 0.732 95.2 4.0
1.730-1.700 1.0010 1.1570 0.5760 0.646 95.2 4.0