Data quality metrics extracted from 4ht4.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": "db30cad8e4964c6a2ca48fcf5d0d98c1",
  "space_group_name": "P 64 2 2",
  "unit_cell": {
    "a": 63.226,
    "b": 63.226,
    "c": 313.756,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97950],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [100.000,2.900],
    "number_observations_unique": 8865,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.097
      },
      {
        "type": "I/SigI",
        "value": 11.400
      },
      {
        "type": "Completeness",
        "value": 97.700
      },
      {
        "type": "Redundancy",
        "value": 20.300
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.950,2.900],
      "number_observations_unique": 345,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.261
        },
        {
          "type": "Completeness",
          "value": 79.700
        },
        {
          "type": "Redundancy",
          "value": 13.200
        }
      ]
    },
    {
      "resolution_limits": [3.000,2.950],
      "number_observations_unique": 385,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.260
        },
        {
          "type": "Completeness",
          "value": 88.100
        },
        {
          "type": "Redundancy",
          "value": 13.700
        }
      ]
    },
    {
      "resolution_limits": [3.060,3.000],
      "number_observations_unique": 397,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.211
        },
        {
          "type": "Completeness",
          "value": 95.900
        },
        {
          "type": "Redundancy",
          "value": 14.900
        }
      ]
    },
    {
      "resolution_limits": [3.120,3.060],
      "number_observations_unique": 446,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.256
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 16.400
        }
      ]
    },
    {
      "resolution_limits": [3.190,3.120],
      "number_observations_unique": 434,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.214
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 18.100
        }
      ]
    },
    {
      "resolution_limits": [3.270,3.190],
      "number_observations_unique": 424,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.229
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 21.500
        }
      ]
    },
    {
      "resolution_limits": [3.350,3.270],
      "number_observations_unique": 443,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.179
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 22.800
        }
      ]
    },
    {
      "resolution_limits": [3.440,3.350],
      "number_observations_unique": 429,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.157
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 23.000
        }
      ]
    },
    {
      "resolution_limits": [3.540,3.440],
      "number_observations_unique": 446,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.137
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 22.800
        }
      ]
    },
    {
      "resolution_limits": [3.650,3.540],
      "number_observations_unique": 438,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.133
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 22.900
        }
      ]
    },
    {
      "resolution_limits": [3.780,3.650],
      "number_observations_unique": 436,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.127
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 23.000
        }
      ]
    },
    {
      "resolution_limits": [3.940,3.780],
      "number_observations_unique": 459,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.103
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 22.100
        }
      ]
    },
    {
      "resolution_limits": [4.110,3.940],
      "number_observations_unique": 428,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.084
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 22.600
        }
      ]
    },
    {
      "resolution_limits": [4.330,4.110],
      "number_observations_unique": 445,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.083
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 22.100
        }
      ]
    },
    {
      "resolution_limits": [4.600,4.330],
      "number_observations_unique": 464,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.077
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 21.400
        }
      ]
    },
    {
      "resolution_limits": [4.960,4.600],
      "number_observations_unique": 460,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.076
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 21.800
        }
      ]
    },
    {
      "resolution_limits": [5.460,4.960],
      "number_observations_unique": 462,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.079
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 21.400
        }
      ]
    },
    {
      "resolution_limits": [6.250,5.460],
      "number_observations_unique": 477,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.078
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 21.100
        }
      ]
    },
    {
      "resolution_limits": [7.870,6.250],
      "number_observations_unique": 500,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.075
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 20.300
        }
      ]
    },
    {
      "resolution_limits": [100.000,7.870],
      "number_observations_unique": 547,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.067
        },
        {
          "type": "Completeness",
          "value": 96.000
        },
        {
          "type": "Redundancy",
          "value": 17.500
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 100.000 100.000 3.000
High resolution limit [Å] 2.900 7.870 2.950
R(merge) 0.0970 0.0670 0.2600
Completeness [%] 97.7 96.0 88.1
Multiplicity 20.3 17.5 13.7


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
100.000-7.870 0.0670 96.0 17.5
7.870-6.250 0.0750 99.2 20.3
6.250-5.460 0.0780 100.0 21.1
5.460-4.960 0.0790 99.1 21.4
4.960-4.600 0.0760 99.6 21.8
4.600-4.330 0.0770 100.0 21.4
4.330-4.110 0.0830 99.3 22.1
4.110-3.940 0.0840 99.8 22.6
3.940-3.780 0.1030 99.4 22.1
3.780-3.650 0.1270 99.3 23.0
3.650-3.540 0.1330 99.5 22.9
3.540-3.440 0.1370 99.6 22.8
3.440-3.350 0.1570 99.5 23.0
3.350-3.270 0.1790 99.8 22.8
3.270-3.190 0.2290 99.5 21.5
3.190-3.120 0.2140 99.5 18.1
3.120-3.060 0.2560 99.6 16.4
3.060-3.000 0.2110 95.9 14.9
3.000-2.950 0.2600 88.1 13.7
2.950-2.900 0.2610 79.7 13.2