Data quality metrics extracted from 4hwu.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": "2bdfb9a1dcc40b33a19f09a5a17f868a",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 53.818,
    "b": 53.818,
    "c": 122.817,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.54980],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,2.900],
    "number_observations_unique": 8822,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.178
      },
      {
        "type": "I/SigI",
        "value": 17.75
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 11.100
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.950,2.900],
      "number_observations_unique": 430,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.875
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 9.100
        }
      ]
    },
    {
      "resolution_limits": [3.000,2.950],
      "number_observations_unique": 455,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.719
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 10.100
        }
      ]
    },
    {
      "resolution_limits": [3.060,3.000],
      "number_observations_unique": 416,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.544
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.100
        }
      ]
    },
    {
      "resolution_limits": [3.120,3.060],
      "number_observations_unique": 454,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.586
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.300
        }
      ]
    },
    {
      "resolution_limits": [3.190,3.120],
      "number_observations_unique": 455,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.449
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.200
        }
      ]
    },
    {
      "resolution_limits": [3.270,3.190],
      "number_observations_unique": 417,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.387
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.400
        }
      ]
    },
    {
      "resolution_limits": [3.350,3.270],
      "number_observations_unique": 464,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.469
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.500
        }
      ]
    },
    {
      "resolution_limits": [3.440,3.350],
      "number_observations_unique": 423,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.280
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.400
        }
      ]
    },
    {
      "resolution_limits": [3.540,3.440],
      "number_observations_unique": 447,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.250
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.400
        }
      ]
    },
    {
      "resolution_limits": [3.650,3.540],
      "number_observations_unique": 430,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.166
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.000
        }
      ]
    },
    {
      "resolution_limits": [3.780,3.650],
      "number_observations_unique": 433,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.137
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 10.500
        }
      ]
    },
    {
      "resolution_limits": [3.940,3.780],
      "number_observations_unique": 452,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.125
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.300
        }
      ]
    },
    {
      "resolution_limits": [4.110,3.940],
      "number_observations_unique": 444,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.111
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.500
        }
      ]
    },
    {
      "resolution_limits": [4.330,4.110],
      "number_observations_unique": 430,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.117
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.500
        }
      ]
    },
    {
      "resolution_limits": [4.600,4.330],
      "number_observations_unique": 452,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.102
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.500
        }
      ]
    },
    {
      "resolution_limits": [4.960,4.600],
      "number_observations_unique": 447,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.500
        }
      ]
    },
    {
      "resolution_limits": [5.460,4.960],
      "number_observations_unique": 439,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.400
        }
      ]
    },
    {
      "resolution_limits": [6.240,5.460],
      "number_observations_unique": 436,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.300
        }
      ]
    },
    {
      "resolution_limits": [7.860,6.240],
      "number_observations_unique": 450,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.200
        }
      ]
    },
    {
      "resolution_limits": [50.000,7.860],
      "number_observations_unique": 448,
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.300
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 50.000 3.000
High resolution limit [Å] 2.900 7.860 2.950
R(merge) 0.1780 - 0.7190
Completeness [%] 100.0 100.0 100.0
Multiplicity 11.1 11.3 10.1


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
50.000-7.860 - 100.0 11.3
7.860-6.240 - 100.0 11.2
6.240-5.460 - 100.0 11.3
5.460-4.960 0.0570 100.0 11.4
4.960-4.600 0.0820 100.0 11.5
4.600-4.330 0.1020 100.0 11.5
4.330-4.110 0.1170 100.0 11.5
4.110-3.940 0.1110 100.0 11.5
3.940-3.780 0.1250 100.0 11.3
3.780-3.650 0.1370 100.0 10.5
3.650-3.540 0.1660 100.0 11.0
3.540-3.440 0.2500 100.0 11.4
3.440-3.350 0.2800 100.0 11.4
3.350-3.270 0.4690 100.0 11.5
3.270-3.190 0.3870 100.0 11.4
3.190-3.120 0.4490 100.0 11.2
3.120-3.060 0.5860 100.0 11.3
3.060-3.000 0.5440 100.0 11.1
3.000-2.950 0.7190 100.0 10.1
2.950-2.900 0.8750 100.0 9.1