Data quality metrics extracted from 4pnt.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": "9fc85e37e2c8a4ceca5c7169439133b7",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 73.98,
    "b": 79.59,
    "c": 153.48,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [79.590,1.600],
    "number_observations": 764541,
    "number_observations_unique": 111639,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.062
      },
      {
        "type": "I/SigI",
        "value": 18.000
      },
      {
        "type": "Completeness",
        "value": 93.100
      },
      {
        "type": "Redundancy",
        "value": 6.370
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.630,1.600],
      "number_observations_unique": 3114,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.607
        },
        {
          "type": "I/SigI",
          "value": 1.600
        },
        {
          "type": "Completeness",
          "value": 73.700
        },
        {
          "type": "Redundancy",
          "value": 3.110
        }
      ]
    },
    {
      "resolution_limits": [1.670,1.630],
      "number_observations_unique": 6476,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.536
        },
        {
          "type": "I/SigI",
          "value": 2.000
        },
        {
          "type": "Completeness",
          "value": 80.400
        },
        {
          "type": "Redundancy",
          "value": 3.730
        }
      ]
    },
    {
      "resolution_limits": [1.710,1.670],
      "number_observations_unique": 6445,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.486
        },
        {
          "type": "I/SigI",
          "value": 2.500
        },
        {
          "type": "Completeness",
          "value": 87.900
        },
        {
          "type": "Redundancy",
          "value": 4.510
        }
      ]
    },
    {
      "resolution_limits": [1.750,1.710],
      "number_observations_unique": 6303,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.428
        },
        {
          "type": "I/SigI",
          "value": 3.240
        },
        {
          "type": "Completeness",
          "value": 94.200
        },
        {
          "type": "Redundancy",
          "value": 5.440
        }
      ]
    },
    {
      "resolution_limits": [1.790,1.750],
      "number_observations_unique": 5984,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.388
        },
        {
          "type": "I/SigI",
          "value": 4.220
        },
        {
          "type": "Completeness",
          "value": 98.800
        },
        {
          "type": "Redundancy",
          "value": 6.920
        }
      ]
    },
    {
      "resolution_limits": [1.840,1.790],
      "number_observations_unique": 6907,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.345
        },
        {
          "type": "I/SigI",
          "value": 5.110
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.410
        }
      ]
    },
    {
      "resolution_limits": [1.890,1.840],
      "number_observations_unique": 6188,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.287
        },
        {
          "type": "I/SigI",
          "value": 6.230
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.420
        }
      ]
    },
    {
      "resolution_limits": [1.970,1.890],
      "number_observations_unique": 6220,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.260
        },
        {
          "type": "I/SigI",
          "value": 6.550
        },
        {
          "type": "Completeness",
          "value": 72.100
        },
        {
          "type": "Redundancy",
          "value": 5.200
        }
      ]
    },
    {
      "resolution_limits": [2.040,1.970],
      "number_observations_unique": 6491,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.174
        },
        {
          "type": "I/SigI",
          "value": 10.500
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.450
        }
      ]
    },
    {
      "resolution_limits": [2.110,2.040],
      "number_observations_unique": 5666,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.147
        },
        {
          "type": "I/SigI",
          "value": 13.180
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.230
        }
      ]
    },
    {
      "resolution_limits": [2.200,2.110],
      "number_observations_unique": 6245,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.122
        },
        {
          "type": "I/SigI",
          "value": 14.920
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.450
        }
      ]
    },
    {
      "resolution_limits": [2.320,2.200],
      "number_observations_unique": 5601,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.108
        },
        {
          "type": "I/SigI",
          "value": 16.570
        },
        {
          "type": "Completeness",
          "value": 81.000
        },
        {
          "type": "Redundancy",
          "value": 5.890
        }
      ]
    },
    {
      "resolution_limits": [2.450,2.320],
      "number_observations_unique": 6028,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "I/SigI",
          "value": 21.890
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.460
        }
      ]
    },
    {
      "resolution_limits": [2.610,2.450],
      "number_observations_unique": 5885,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.070
        },
        {
          "type": "I/SigI",
          "value": 25.370
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.460
        }
      ]
    },
    {
      "resolution_limits": [2.810,2.610],
      "number_observations_unique": 5619,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "I/SigI",
          "value": 29.630
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.380
        }
      ]
    },
    {
      "resolution_limits": [3.090,2.810],
      "number_observations_unique": 5626,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "I/SigI",
          "value": 36.610
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.410
        }
      ]
    },
    {
      "resolution_limits": [3.530,3.090],
      "number_observations_unique": 5623,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.036
        },
        {
          "type": "I/SigI",
          "value": 44.680
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 7.310
        }
      ]
    },
    {
      "resolution_limits": [4.560,3.530],
      "number_observations_unique": 5628,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 51.580
        },
        {
          "type": "Completeness",
          "value": 90.800
        },
        {
          "type": "Redundancy",
          "value": 6.470
        }
      ]
    },
    {
      "resolution_limits": [79.590,4.560],
      "number_observations_unique": 5590,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 52.120
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.810
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 79.590 79.590 1.670
High resolution limit [Å] 1.600 4.560 1.630
R(merge) 0.0620 0.0320 0.5360
Completeness [%] 93.1 99.8 80.4
Multiplicity 6.4 6.8 3.7


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
79.590-4.560 0.0320 99.8 6.8
4.560-3.530 0.0320 90.8 6.5
3.530-3.090 0.0360 100.0 7.3
3.090-2.810 0.0460 100.0 7.4
2.810-2.610 0.0590 100.0 7.4
2.610-2.450 0.0700 100.0 7.5
2.450-2.320 0.0820 100.0 7.5
2.320-2.200 0.1080 81.0 5.9
2.200-2.110 0.1220 100.0 7.5
2.110-2.040 0.1470 99.9 7.2
2.040-1.970 0.1740 100.0 7.5
1.970-1.890 0.2600 72.1 5.2
1.890-1.840 0.2870 100.0 7.4
1.840-1.790 0.3450 100.0 7.4
1.790-1.750 0.3880 98.8 6.9
1.750-1.710 0.4280 94.2 5.4
1.710-1.670 0.4860 87.9 4.5
1.670-1.630 0.5360 80.4 3.7
1.630-1.600 0.6070 73.7 3.1