Data quality metrics extracted from 4zgd.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": "6c0f35d5abc6f3032334fd4a75159456",
  "space_group_name": "P 31",
  "unit_cell": {
    "a": 111.590,
    "b": 111.590,
    "c": 474.604,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.491,2.250],
    "number_observations": 1185275,
    "number_observations_unique": 313740,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.156
      },
      {
        "type": "R(meas)",
        "value": 0.182
      },
      {
        "type": "R(pim)",
        "value": 0.093
      },
      {
        "type": "I/SigI",
        "value": 6.900
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 3.800
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.370,2.250],
      "number_observations": 171800,
      "number_observations_unique": 45888,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.724
        },
        {
          "type": "R(pim)",
          "value": 0.432
        },
        {
          "type": "I/SigI",
          "value": 1.000
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.700
        }
      ]
    },
    {
      "resolution_limits": [2.520,2.370],
      "number_observations": 162598,
      "number_observations_unique": 43342,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.579
        },
        {
          "type": "R(pim)",
          "value": 0.345
        },
        {
          "type": "I/SigI",
          "value": 1.300
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.800
        }
      ]
    },
    {
      "resolution_limits": [2.690,2.520],
      "number_observations": 153136,
      "number_observations_unique": 40672,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.432
        },
        {
          "type": "R(pim)",
          "value": 0.257
        },
        {
          "type": "I/SigI",
          "value": 1.700
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.800
        }
      ]
    },
    {
      "resolution_limits": [2.900,2.690],
      "number_observations": 143053,
      "number_observations_unique": 37946,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.298
        },
        {
          "type": "R(pim)",
          "value": 0.178
        },
        {
          "type": "I/SigI",
          "value": 2.500
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.800
        }
      ]
    },
    {
      "resolution_limits": [3.180,2.900],
      "number_observations": 132172,
      "number_observations_unique": 34963,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.200
        },
        {
          "type": "R(pim)",
          "value": 0.119
        },
        {
          "type": "I/SigI",
          "value": 3.600
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.800
        }
      ]
    },
    {
      "resolution_limits": [3.560,3.180],
      "number_observations": 119854,
      "number_observations_unique": 31567,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.126
        },
        {
          "type": "R(pim)",
          "value": 0.075
        },
        {
          "type": "I/SigI",
          "value": 5.400
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.800
        }
      ]
    },
    {
      "resolution_limits": [4.110,3.560],
      "number_observations": 105713,
      "number_observations_unique": 27788,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.086
        },
        {
          "type": "R(pim)",
          "value": 0.051
        },
        {
          "type": "I/SigI",
          "value": 7.600
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.800
        }
      ]
    },
    {
      "resolution_limits": [5.030,4.110],
      "number_observations": 89586,
      "number_observations_unique": 23499,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.070
        },
        {
          "type": "R(pim)",
          "value": 0.042
        },
        {
          "type": "I/SigI",
          "value": 9.100
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.800
        }
      ]
    },
    {
      "resolution_limits": [7.120,5.030],
      "number_observations": 69330,
      "number_observations_unique": 18128,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.064
        },
        {
          "type": "R(pim)",
          "value": 0.038
        },
        {
          "type": "I/SigI",
          "value": 9.700
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.800
        }
      ]
    },
    {
      "resolution_limits": [50.559,7.120],
      "number_observations": 38033,
      "number_observations_unique": 9947,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        },
        {
          "type": "R(pim)",
          "value": 0.031
        },
        {
          "type": "I/SigI",
          "value": 10.000
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.800
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.491 50.559 2.520
High resolution limit [Å] 2.250 7.120 2.370
R(merge) 0.1560 0.0520 0.5790
R(meas) 0.1820 - -
R(pim) 0.0930 0.0310 0.3450
Completeness [%] 100.0 99.7 100.0
Multiplicity 3.8 3.8 3.8


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

Resolution [Å] R(merge) R(pim) Completeness [%] Multiplicity
50.559-7.120 0.0520 0.0310 99.7 3.8
7.120-5.030 0.0640 0.0380 100.0 3.8
5.030-4.110 0.0700 0.0420 100.0 3.8
4.110-3.560 0.0860 0.0510 100.0 3.8
3.560-3.180 0.1260 0.0750 100.0 3.8
3.180-2.900 0.2000 0.1190 100.0 3.8
2.900-2.690 0.2980 0.1780 100.0 3.8
2.690-2.520 0.4320 0.2570 100.0 3.8
2.520-2.370 0.5790 0.3450 100.0 3.8
2.370-2.250 0.7240 0.4320 100.0 3.7