Data quality metrics extracted from 4zgj.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": "b89d0b67e7ade1453e997754c429f787",
  "space_group_name": "P 31",
  "unit_cell": {
    "a": 112.049,
    "b": 112.049,
    "c": 476.037,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.98000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [36.568,2.000],
    "number_observations": 2508285,
    "number_observations_unique": 450084,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.408
      },
      {
        "type": "R(meas)",
        "value": 0.451
      },
      {
        "type": "R(pim)",
        "value": 0.190
      },
      {
        "type": "I/SigI",
        "value": 3.200
      },
      {
        "type": "Completeness",
        "value": 99.700
      },
      {
        "type": "Redundancy",
        "value": 5.600
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.110,2.000],
      "number_observations": 363074,
      "number_observations_unique": 65444,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.699
        },
        {
          "type": "R(pim)",
          "value": 0.326
        },
        {
          "type": "I/SigI",
          "value": 0.800
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 5.500
        }
      ]
    },
    {
      "resolution_limits": [2.240,2.110],
      "number_observations": 344330,
      "number_observations_unique": 62042,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.591
        },
        {
          "type": "R(pim)",
          "value": 0.276
        },
        {
          "type": "I/SigI",
          "value": 0.900
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 5.500
        }
      ]
    },
    {
      "resolution_limits": [2.390,2.240],
      "number_observations": 324618,
      "number_observations_unique": 58465,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.535
        },
        {
          "type": "R(pim)",
          "value": 0.249
        },
        {
          "type": "I/SigI",
          "value": 1.000
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 5.600
        }
      ]
    },
    {
      "resolution_limits": [2.580,2.390],
      "number_observations": 302383,
      "number_observations_unique": 54339,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.504
        },
        {
          "type": "R(pim)",
          "value": 0.234
        },
        {
          "type": "I/SigI",
          "value": 1.000
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 5.600
        }
      ]
    },
    {
      "resolution_limits": [2.830,2.580],
      "number_observations": 279640,
      "number_observations_unique": 50123,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.463
        },
        {
          "type": "R(pim)",
          "value": 0.214
        },
        {
          "type": "I/SigI",
          "value": 1.100
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 5.600
        }
      ]
    },
    {
      "resolution_limits": [3.160,2.830],
      "number_observations": 253657,
      "number_observations_unique": 45360,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.426
        },
        {
          "type": "R(pim)",
          "value": 0.197
        },
        {
          "type": "I/SigI",
          "value": 1.200
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.600
        }
      ]
    },
    {
      "resolution_limits": [3.650,3.160],
      "number_observations": 224925,
      "number_observations_unique": 40097,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.396
        },
        {
          "type": "R(pim)",
          "value": 0.183
        },
        {
          "type": "I/SigI",
          "value": 1.400
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.600
        }
      ]
    },
    {
      "resolution_limits": [4.470,3.650],
      "number_observations": 190013,
      "number_observations_unique": 33872,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.370
        },
        {
          "type": "R(pim)",
          "value": 0.171
        },
        {
          "type": "I/SigI",
          "value": 1.600
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.600
        }
      ]
    },
    {
      "resolution_limits": [6.320,4.470],
      "number_observations": 146784,
      "number_observations_unique": 26101,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.351
        },
        {
          "type": "R(pim)",
          "value": 0.163
        },
        {
          "type": "I/SigI",
          "value": 1.700
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.600
        }
      ]
    },
    {
      "resolution_limits": [36.568,6.320],
      "number_observations": 78861,
      "number_observations_unique": 14241,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.333
        },
        {
          "type": "R(pim)",
          "value": 0.157
        },
        {
          "type": "I/SigI",
          "value": 1.700
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 5.500
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 36.568 36.568 2.240
High resolution limit [Å] 2.000 6.320 2.110
R(merge) 0.4080 0.3330 0.5910
R(meas) 0.4510 - -
R(pim) 0.1900 0.1570 0.2760
Completeness [%] 99.7 99.4 99.4
Multiplicity 5.6 5.5 5.5


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

Resolution [Å] R(merge) R(pim) Completeness [%] Multiplicity
36.568-6.320 0.3330 0.1570 99.4 5.5
6.320-4.470 0.3510 0.1630 100.0 5.6
4.470-3.650 0.3700 0.1710 100.0 5.6
3.650-3.160 0.3960 0.1830 100.0 5.6
3.160-2.830 0.4260 0.1970 99.9 5.6
2.830-2.580 0.4630 0.2140 99.8 5.6
2.580-2.390 0.5040 0.2340 99.7 5.6
2.390-2.240 0.5350 0.2490 99.6 5.6
2.240-2.110 0.5910 0.2760 99.4 5.5
2.110-2.000 0.6990 0.3260 99.2 5.5