Data quality metrics extracted from 3pfb.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": "db5b05aaf1c9e3dcdc6283704092befc",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 72.260,
    "b": 83.891,
    "c": 88.947,
    "alpha": 90.00,
    "beta": 98.21,
    "gamma": 90.00
  },
  "wavelengths": [1.54180],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,1.58],
    "number_observations_unique": 52487,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.046
      },
      {
        "type": "I/SigI",
        "value": 31.21
      },
      {
        "type": "Completeness",
        "value": 73.1
      },
      {
        "type": "Redundancy",
        "value": 2.0
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.61,1.58],
      "number_observations_unique": 769,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.260
        },
        {
          "type": "I/SigI",
          "value": 3.09
        },
        {
          "type": "Completeness",
          "value": 21.6
        },
        {
          "type": "Redundancy",
          "value": 1.3
        }
      ]
    },
    {
      "resolution_limits": [1.64,1.61],
      "number_observations_unique": 1088,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.267
        },
        {
          "type": "I/SigI",
          "value": 3.71
        },
        {
          "type": "Completeness",
          "value": 30.3
        },
        {
          "type": "Redundancy",
          "value": 1.4
        }
      ]
    },
    {
      "resolution_limits": [1.67,1.64],
      "number_observations_unique": 1412,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.220
        },
        {
          "type": "I/SigI",
          "value": 4.70
        },
        {
          "type": "Completeness",
          "value": 39.6
        },
        {
          "type": "Redundancy",
          "value": 1.4
        }
      ]
    },
    {
      "resolution_limits": [1.70,1.67],
      "number_observations_unique": 1772,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.194
        },
        {
          "type": "I/SigI",
          "value": 5.67
        },
        {
          "type": "Completeness",
          "value": 49.8
        },
        {
          "type": "Redundancy",
          "value": 1.5
        }
      ]
    },
    {
      "resolution_limits": [1.74,1.70],
      "number_observations_unique": 2158,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.175
        },
        {
          "type": "I/SigI",
          "value": 7.00
        },
        {
          "type": "Completeness",
          "value": 60.2
        },
        {
          "type": "Redundancy",
          "value": 1.6
        }
      ]
    },
    {
      "resolution_limits": [1.78,1.74],
      "number_observations_unique": 2699,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.153
        },
        {
          "type": "I/SigI",
          "value": 8.71
        },
        {
          "type": "Completeness",
          "value": 75.1
        },
        {
          "type": "Redundancy",
          "value": 1.8
        }
      ]
    },
    {
      "resolution_limits": [1.82,1.78],
      "number_observations_unique": 3025,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.132
        },
        {
          "type": "I/SigI",
          "value": 11.31
        },
        {
          "type": "Completeness",
          "value": 84.4
        },
        {
          "type": "Redundancy",
          "value": 2.0
        }
      ]
    },
    {
      "resolution_limits": [1.87,1.82],
      "number_observations_unique": 2986,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.116
        },
        {
          "type": "I/SigI",
          "value": 13.52
        },
        {
          "type": "Completeness",
          "value": 83.8
        },
        {
          "type": "Redundancy",
          "value": 2.1
        }
      ]
    },
    {
      "resolution_limits": [1.93,1.87],
      "number_observations_unique": 3009,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.097
        },
        {
          "type": "I/SigI",
          "value": 16.26
        },
        {
          "type": "Completeness",
          "value": 84.0
        },
        {
          "type": "Redundancy",
          "value": 2.0
        }
      ]
    },
    {
      "resolution_limits": [1.99,1.93],
      "number_observations_unique": 2969,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.085
        },
        {
          "type": "I/SigI",
          "value": 19.34
        },
        {
          "type": "Completeness",
          "value": 82.7
        },
        {
          "type": "Redundancy",
          "value": 2.1
        }
      ]
    },
    {
      "resolution_limits": [2.06,1.99],
      "number_observations_unique": 2989,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.072
        },
        {
          "type": "I/SigI",
          "value": 22.84
        },
        {
          "type": "Completeness",
          "value": 83.3
        },
        {
          "type": "Redundancy",
          "value": 2.1
        }
      ]
    },
    {
      "resolution_limits": [2.14,2.06],
      "number_observations_unique": 2997,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "I/SigI",
          "value": 25.52
        },
        {
          "type": "Completeness",
          "value": 83.2
        },
        {
          "type": "Redundancy",
          "value": 2.1
        }
      ]
    },
    {
      "resolution_limits": [2.24,2.14],
      "number_observations_unique": 2970,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.060
        },
        {
          "type": "I/SigI",
          "value": 27.63
        },
        {
          "type": "Completeness",
          "value": 83.5
        },
        {
          "type": "Redundancy",
          "value": 2.1
        }
      ]
    },
    {
      "resolution_limits": [2.36,2.24],
      "number_observations_unique": 3078,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.057
        },
        {
          "type": "I/SigI",
          "value": 28.90
        },
        {
          "type": "Completeness",
          "value": 85.6
        },
        {
          "type": "Redundancy",
          "value": 2.1
        }
      ]
    },
    {
      "resolution_limits": [2.51,2.36],
      "number_observations_unique": 3062,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 30.84
        },
        {
          "type": "Completeness",
          "value": 84.8
        },
        {
          "type": "Redundancy",
          "value": 2.1
        }
      ]
    },
    {
      "resolution_limits": [2.70,2.51],
      "number_observations_unique": 3088,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "I/SigI",
          "value": 32.46
        },
        {
          "type": "Completeness",
          "value": 86.3
        },
        {
          "type": "Redundancy",
          "value": 2.1
        }
      ]
    },
    {
      "resolution_limits": [2.97,2.70],
      "number_observations_unique": 3114,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 34.09
        },
        {
          "type": "Completeness",
          "value": 86.0
        },
        {
          "type": "Redundancy",
          "value": 2.1
        }
      ]
    },
    {
      "resolution_limits": [3.40,2.97],
      "number_observations_unique": 3069,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.040
        },
        {
          "type": "I/SigI",
          "value": 36.56
        },
        {
          "type": "Completeness",
          "value": 85.2
        },
        {
          "type": "Redundancy",
          "value": 2.1
        }
      ]
    },
    {
      "resolution_limits": [4.29,3.40],
      "number_observations_unique": 3090,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 38.28
        },
        {
          "type": "Completeness",
          "value": 85.3
        },
        {
          "type": "Redundancy",
          "value": 2.1
        }
      ]
    },
    {
      "resolution_limits": [50.0,4.29],
      "number_observations_unique": 3143,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.034
        },
        {
          "type": "I/SigI",
          "value": 39.30
        },
        {
          "type": "Completeness",
          "value": 85.3
        },
        {
          "type": "Redundancy",
          "value": 2.1
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 50.000 1.640
High resolution limit [Å] 1.580 4.290 1.610
R(merge) 0.0460 0.0340 0.2670
Completeness [%] 73.1 85.3 30.3
Multiplicity 2.0 2.1 1.4


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
50.000-4.290 0.0340 85.3 2.1
4.290-3.400 0.0370 85.3 2.1
3.400-2.970 0.0400 85.2 2.1
2.970-2.700 0.0450 86.0 2.1
2.700-2.510 0.0470 86.3 2.1
2.510-2.360 0.0520 84.8 2.1
2.360-2.240 0.0570 85.6 2.1
2.240-2.140 0.0600 83.5 2.1
2.140-2.060 0.0660 83.2 2.1
2.060-1.990 0.0720 83.3 2.1
1.990-1.930 0.0850 82.7 2.1
1.930-1.870 0.0970 84.0 2.0
1.870-1.820 0.1160 83.8 2.1
1.820-1.780 0.1320 84.4 2.0
1.780-1.740 0.1530 75.1 1.8
1.740-1.700 0.1750 60.2 1.6
1.700-1.670 0.1940 49.8 1.5
1.670-1.640 0.2200 39.6 1.4
1.640-1.610 0.2670 30.3 1.4
1.610-1.580 0.2600 21.6 1.3