Data quality metrics extracted from 4n43.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": "1d74503f2dfdfc9a1373b95b1d34efe7",
  "space_group_name": "P 42 3 2",
  "unit_cell": {
    "a": 352.416,
    "b": 352.416,
    "c": 352.416,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97914],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.84,3.801],
    "number_observations_unique": 50069,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.384
      },
      {
        "type": "I/SigI",
        "value": 2.300
      },
      {
        "type": "Completeness",
        "value": 68.000
      },
      {
        "type": "Redundancy",
        "value": 5.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.870,3.801],
      "number_observations_unique": 2652,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.839
        },
        {
          "type": "I/SigI",
          "value": 1.34
        },
        {
          "type": "Completeness",
          "value": 73.400
        },
        {
          "type": "Redundancy",
          "value": 4.600
        }
      ]
    },
    {
      "resolution_limits": [3.94,3.87],
      "number_observations_unique": 2653,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.781
        },
        {
          "type": "I/SigI",
          "value": 1.44
        },
        {
          "type": "Completeness",
          "value": 73.4
        },
        {
          "type": "Redundancy",
          "value": 4.7
        }
      ]
    },
    {
      "resolution_limits": [4.01,3.94],
      "number_observations_unique": 2637,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.754
        },
        {
          "type": "I/SigI",
          "value": 1.50
        },
        {
          "type": "Completeness",
          "value": 72.9
        },
        {
          "type": "Redundancy",
          "value": 4.7
        }
      ]
    },
    {
      "resolution_limits": [4.09,4.01],
      "number_observations_unique": 2629,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.630
        },
        {
          "type": "I/SigI",
          "value": 1.81
        },
        {
          "type": "Completeness",
          "value": 72.1
        },
        {
          "type": "Redundancy",
          "value": 4.8
        }
      ]
    },
    {
      "resolution_limits": [4.18,4.09],
      "number_observations_unique": 2611,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.560
        },
        {
          "type": "I/SigI",
          "value": 2.06
        },
        {
          "type": "Completeness",
          "value": 72.4
        },
        {
          "type": "Redundancy",
          "value": 4.8
        }
      ]
    },
    {
      "resolution_limits": [4.28,4.18],
      "number_observations_unique": 2587,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.520
        },
        {
          "type": "I/SigI",
          "value": 2.16
        },
        {
          "type": "Completeness",
          "value": 71.2
        },
        {
          "type": "Redundancy",
          "value": 4.8
        }
      ]
    },
    {
      "resolution_limits": [4.39,4.28],
      "number_observations_unique": 2553,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.443
        },
        {
          "type": "I/SigI",
          "value": 2.62
        },
        {
          "type": "Completeness",
          "value": 70.6
        },
        {
          "type": "Redundancy",
          "value": 4.9
        }
      ]
    },
    {
      "resolution_limits": [4.50,4.39],
      "number_observations_unique": 2558,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.437
        },
        {
          "type": "I/SigI",
          "value": 2.8
        },
        {
          "type": "Completeness",
          "value": 70.4
        },
        {
          "type": "Redundancy",
          "value": 4.9
        }
      ]
    },
    {
      "resolution_limits": [4.64,4.50],
      "number_observations_unique": 2544,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.411
        },
        {
          "type": "I/SigI",
          "value": 3.04
        },
        {
          "type": "Completeness",
          "value": 69.5
        },
        {
          "type": "Redundancy",
          "value": 4.9
        }
      ]
    },
    {
      "resolution_limits": [4.79,4.64],
      "number_observations_unique": 2520,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.382
        },
        {
          "type": "I/SigI",
          "value": 3.42
        },
        {
          "type": "Completeness",
          "value": 69.1
        },
        {
          "type": "Redundancy",
          "value": 4.9
        }
      ]
    },
    {
      "resolution_limits": [4.96,4.79],
      "number_observations_unique": 2495,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.383
        },
        {
          "type": "I/SigI",
          "value": 3.33
        },
        {
          "type": "Completeness",
          "value": 68.3
        },
        {
          "type": "Redundancy",
          "value": 5.0
        }
      ]
    },
    {
      "resolution_limits": [5.16,4.96],
      "number_observations_unique": 2508,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.359
        },
        {
          "type": "I/SigI",
          "value": 3.76
        },
        {
          "type": "Completeness",
          "value": 68.6
        },
        {
          "type": "Redundancy",
          "value": 5.0
        }
      ]
    },
    {
      "resolution_limits": [5.39,5.16],
      "number_observations_unique": 2488,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.378
        },
        {
          "type": "I/SigI",
          "value": 3.36
        },
        {
          "type": "Completeness",
          "value": 67.9
        },
        {
          "type": "Redundancy",
          "value": 5.0
        }
      ]
    },
    {
      "resolution_limits": [5.67,5.39],
      "number_observations_unique": 2477,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.387
        },
        {
          "type": "I/SigI",
          "value": 3.55
        },
        {
          "type": "Completeness",
          "value": 67.3
        },
        {
          "type": "Redundancy",
          "value": 5.0
        }
      ]
    },
    {
      "resolution_limits": [6.03,5.67],
      "number_observations_unique": 2441,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.406
        },
        {
          "type": "I/SigI",
          "value": 3.39
        },
        {
          "type": "Completeness",
          "value": 66.4
        },
        {
          "type": "Redundancy",
          "value": 5.1
        }
      ]
    },
    {
      "resolution_limits": [6.49,6.03],
      "number_observations_unique": 2446,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.372
        },
        {
          "type": "I/SigI",
          "value": 3.79
        },
        {
          "type": "Completeness",
          "value": 65.9
        },
        {
          "type": "Redundancy",
          "value": 5.0
        }
      ]
    },
    {
      "resolution_limits": [7.15,6.49],
      "number_observations_unique": 2400,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.320
        },
        {
          "type": "I/SigI",
          "value": 4.72
        },
        {
          "type": "Completeness",
          "value": 64.6
        },
        {
          "type": "Redundancy",
          "value": 5.1
        }
      ]
    },
    {
      "resolution_limits": [8.18,7.15],
      "number_observations_unique": 2338,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.258
        },
        {
          "type": "I/SigI",
          "value": 6.64
        },
        {
          "type": "Completeness",
          "value": 62.0
        },
        {
          "type": "Redundancy",
          "value": 5.2
        }
      ]
    },
    {
      "resolution_limits": [10.29,8.18],
      "number_observations_unique": 2299,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.187
        },
        {
          "type": "I/SigI",
          "value": 13.04
        },
        {
          "type": "Completeness",
          "value": 60.6
        },
        {
          "type": "Redundancy",
          "value": 5.5
        }
      ]
    },
    {
      "resolution_limits": [50.0,10.29],
      "number_observations_unique": 2265,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.170
        },
        {
          "type": "I/SigI",
          "value": 19.48
        },
        {
          "type": "Completeness",
          "value": 56.1
        },
        {
          "type": "Redundancy",
          "value": 5.6
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 49.840 50.000 3.940
High resolution limit [Å] 3.801 10.290 3.870
R(merge) 0.3840 0.1700 0.7810
Completeness [%] 68.0 56.1 73.4
Multiplicity 5.0 5.6 4.7


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
50.000-10.290 0.1700 56.1 5.6
10.290-8.180 0.1870 60.6 5.5
8.180-7.150 0.2580 62.0 5.2
7.150-6.490 0.3200 64.6 5.1
6.490-6.030 0.3720 65.9 5.0
6.030-5.670 0.4060 66.4 5.1
5.670-5.390 0.3870 67.3 5.0
5.390-5.160 0.3780 67.9 5.0
5.160-4.960 0.3590 68.6 5.0
4.960-4.790 0.3830 68.3 5.0
4.790-4.640 0.3820 69.1 4.9
4.640-4.500 0.4110 69.5 4.9
4.500-4.390 0.4370 70.4 4.9
4.390-4.280 0.4430 70.6 4.9
4.280-4.180 0.5200 71.2 4.8
4.180-4.090 0.5600 72.4 4.8
4.090-4.010 0.6300 72.1 4.8
4.010-3.940 0.7540 72.9 4.7
3.940-3.870 0.7810 73.4 4.7
3.870-3.801 0.8390 73.4 4.6