Data quality metrics extracted from 5hbt.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": "feeb879f754e9c4163d25b8f05accdd5",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 160.006,
    "b": 42.143,
    "c": 136.488,
    "alpha": 90.00,
    "beta": 117.05,
    "gamma": 90.00
  },
  "wavelengths": [1.00000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,2.250],
    "number_observations": 127914,
    "number_observations_unique": 36729,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.117
      },
      {
        "type": "R(meas)",
        "value": 0.127
      },
      {
        "type": "R(pim)",
        "value": 0.093
      },
      {
        "type": "I/SigI",
        "value": 6.100
      },
      {
        "type": "Completeness",
        "value": 94.800
      },
      {
        "type": "Redundancy",
        "value": 3.500
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.290,2.250],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.979
        },
        {
          "type": "R(meas)",
          "value": 0.880
        },
        {
          "type": "R(pim)",
          "value": 0.860
        },
        {
          "type": "Completeness",
          "value": 57.800
        },
        {
          "type": "Redundancy",
          "value": 2.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.280
        }
      ]
    },
    {
      "resolution_limits": [2.330,2.290],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.754
        },
        {
          "type": "R(meas)",
          "value": 0.695
        },
        {
          "type": "R(pim)",
          "value": 0.931
        },
        {
          "type": "Completeness",
          "value": 69.300
        },
        {
          "type": "Redundancy",
          "value": 2.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.405
        }
      ]
    },
    {
      "resolution_limits": [2.380,2.330],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.596
        },
        {
          "type": "R(meas)",
          "value": 0.528
        },
        {
          "type": "R(pim)",
          "value": 0.947
        },
        {
          "type": "Completeness",
          "value": 80.600
        },
        {
          "type": "Redundancy",
          "value": 2.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.391
        }
      ]
    },
    {
      "resolution_limits": [2.420,2.380],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.453
        },
        {
          "type": "R(meas)",
          "value": 0.394
        },
        {
          "type": "R(pim)",
          "value": 0.881
        },
        {
          "type": "Completeness",
          "value": 90.900
        },
        {
          "type": "Redundancy",
          "value": 2.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.417
        }
      ]
    },
    {
      "resolution_limits": [2.480,2.420],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.338
        },
        {
          "type": "R(meas)",
          "value": 0.292
        },
        {
          "type": "R(pim)",
          "value": 0.782
        },
        {
          "type": "Completeness",
          "value": 97.700
        },
        {
          "type": "Redundancy",
          "value": 3.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.478
        }
      ]
    },
    {
      "resolution_limits": [2.530,2.480],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.250
        },
        {
          "type": "R(meas)",
          "value": 0.217
        },
        {
          "type": "R(pim)",
          "value": 0.691
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 3.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.548
        }
      ]
    },
    {
      "resolution_limits": [2.600,2.530],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.186
        },
        {
          "type": "R(meas)",
          "value": 0.158
        },
        {
          "type": "R(pim)",
          "value": 0.593
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.588
        }
      ]
    },
    {
      "resolution_limits": [2.670,2.600],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.135
        },
        {
          "type": "R(meas)",
          "value": 0.114
        },
        {
          "type": "R(pim)",
          "value": 0.452
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.573
        }
      ]
    },
    {
      "resolution_limits": [2.750,2.670],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.097
        },
        {
          "type": "R(meas)",
          "value": 0.089
        },
        {
          "type": "R(pim)",
          "value": 0.356
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.742
        }
      ]
    },
    {
      "resolution_limits": [2.830,2.750],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.076
        },
        {
          "type": "R(meas)",
          "value": 0.070
        },
        {
          "type": "R(pim)",
          "value": 0.271
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.814
        }
      ]
    },
    {
      "resolution_limits": [2.940,2.830],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.059
        },
        {
          "type": "R(meas)",
          "value": 0.060
        },
        {
          "type": "R(pim)",
          "value": 0.202
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.879
        }
      ]
    },
    {
      "resolution_limits": [3.050,2.940],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "R(pim)",
          "value": 0.150
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 3.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.934
        }
      ]
    },
    {
      "resolution_limits": [3.190,3.050],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "R(pim)",
          "value": 0.111
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.952
        }
      ]
    },
    {
      "resolution_limits": [3.360,3.190],
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.081
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.975
        }
      ]
    },
    {
      "resolution_limits": [3.570,3.360],
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.059
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [3.850,3.570],
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.046
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.989
        }
      ]
    },
    {
      "resolution_limits": [4.230,3.850],
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.036
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [4.850,4.230],
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.031
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [6.100,4.850],
      "quality_factors": [
        {
          "type": "R(pim)",
          "value": 0.024
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 3.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [50.000,6.100],
      "quality_factors": [
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 50.000 2.330
High resolution limit [Å] 2.250 6.100 2.290
R(merge) 0.1170 - 0.7540
R(meas) 0.1270 - 0.6950
R(pim) 0.0930 - 0.9310
CC(1/2) - 0.997 0.405
Completeness [%] 94.8 99.6 69.3
Multiplicity 3.5 3.5 2.2


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
50.000-6.100 - - - 0.997 99.6 3.5
6.100-4.850 - - 0.0240 0.996 100.0 3.7
4.850-4.230 - - 0.0310 0.995 100.0 3.7
4.230-3.850 - - 0.0360 0.993 100.0 3.7
3.850-3.570 - - 0.0460 0.989 100.0 3.7
3.570-3.360 - - 0.0590 0.986 100.0 3.8
3.360-3.190 - - 0.0810 0.975 100.0 3.8
3.190-3.050 0.0380 - 0.1110 0.952 100.0 3.8
3.050-2.940 0.0510 0.0450 0.1500 0.934 99.9 3.8
2.940-2.830 0.0590 0.0600 0.2020 0.879 100.0 3.8
2.830-2.750 0.0760 0.0700 0.2710 0.814 100.0 3.8
2.750-2.670 0.0970 0.0890 0.3560 0.742 100.0 3.8
2.670-2.600 0.1350 0.1140 0.4520 0.573 100.0 3.7
2.600-2.530 0.1860 0.1580 0.5930 0.588 99.9 3.6
2.530-2.480 0.2500 0.2170 0.6910 0.548 99.5 3.4
2.480-2.420 0.3380 0.2920 0.7820 0.478 97.7 3.1
2.420-2.380 0.4530 0.3940 0.8810 0.417 90.9 2.8
2.380-2.330 0.5960 0.5280 0.9470 0.391 80.6 2.5
2.330-2.290 0.7540 0.6950 0.9310 0.405 69.3 2.2
2.290-2.250 0.9790 0.8800 0.8600 0.280 57.8 2.1