Data quality metrics extracted from 7thh.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": "af9874edb3b883cb91459bd32aa79365",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 30.173,
    "b": 113.693,
    "c": 109.688,
    "alpha": 90.00,
    "beta": 93.02,
    "gamma": 90.00
  },
  "wavelengths": [0.97920],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.39,1.32],
    "number_observations_unique": 169862,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.136
      },
      {
        "type": "R(meas)",
        "value": 0.141
      },
      {
        "type": "R(pim)",
        "value": 0.035
      },
      {
        "type": "I/SigI",
        "value": 6.300
      },
      {
        "type": "Completeness",
        "value": 99.300
      },
      {
        "type": "Redundancy",
        "value": 12.900
      },
      {
        "type": "CC(1/2)",
        "value": 0.985
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.350,1.32],
      "number_observations_unique": 7797,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.390
        },
        {
          "type": "R(meas)",
          "value": 1.522
        },
        {
          "type": "R(pim)",
          "value": 0.597
        },
        {
          "type": "I/SigI",
          "value": 1.13
        },
        {
          "type": "Completeness",
          "value": 92.100
        },
        {
          "type": "Redundancy",
          "value": 5.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.513
        }
      ]
    },
    {
      "resolution_limits": [1.380,1.350],
      "number_observations_unique": 8430,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.422
        },
        {
          "type": "R(meas)",
          "value": 1.523
        },
        {
          "type": "R(pim)",
          "value": 0.529
        },
        {
          "type": "Completeness",
          "value": 97.600
        },
        {
          "type": "Redundancy",
          "value": 7.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.604
        }
      ]
    },
    {
      "resolution_limits": [1.400,1.380],
      "number_observations_unique": 8365,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.517
        },
        {
          "type": "R(meas)",
          "value": 1.616
        },
        {
          "type": "R(pim)",
          "value": 0.543
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 7.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.613
        }
      ]
    },
    {
      "resolution_limits": [1.430,1.400],
      "number_observations_unique": 8481,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.420
        },
        {
          "type": "R(meas)",
          "value": 1.501
        },
        {
          "type": "R(pim)",
          "value": 0.478
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 9.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.742
        }
      ]
    },
    {
      "resolution_limits": [1.460,1.430],
      "number_observations_unique": 8520,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.395
        },
        {
          "type": "R(meas)",
          "value": 1.467
        },
        {
          "type": "R(pim)",
          "value": 0.446
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 10.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.791
        }
      ]
    },
    {
      "resolution_limits": [1.500,1.460],
      "number_observations_unique": 8479,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.295
        },
        {
          "type": "R(meas)",
          "value": 1.357
        },
        {
          "type": "R(pim)",
          "value": 0.400
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 11.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.843
        }
      ]
    },
    {
      "resolution_limits": [1.540,1.500],
      "number_observations_unique": 8518,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.231
        },
        {
          "type": "R(meas)",
          "value": 1.287
        },
        {
          "type": "R(pim)",
          "value": 0.372
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 11.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.856
        }
      ]
    },
    {
      "resolution_limits": [1.580,1.540],
      "number_observations_unique": 8514,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.003
        },
        {
          "type": "R(meas)",
          "value": 1.042
        },
        {
          "type": "R(pim)",
          "value": 0.281
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 13.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.934
        }
      ]
    },
    {
      "resolution_limits": [1.620,1.580],
      "number_observations_unique": 8493,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.833
        },
        {
          "type": "R(meas)",
          "value": 0.865
        },
        {
          "type": "R(pim)",
          "value": 0.233
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 13.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.942
        }
      ]
    },
    {
      "resolution_limits": [1.680,1.620],
      "number_observations_unique": 8546,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.628
        },
        {
          "type": "R(meas)",
          "value": 0.653
        },
        {
          "type": "R(pim)",
          "value": 0.177
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 13.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.963
        }
      ]
    },
    {
      "resolution_limits": [1.740,1.680],
      "number_observations_unique": 8504,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.510
        },
        {
          "type": "R(meas)",
          "value": 0.530
        },
        {
          "type": "R(pim)",
          "value": 0.145
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 12.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.968
        }
      ]
    },
    {
      "resolution_limits": [1.810,1.740],
      "number_observations_unique": 8551,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.380
        },
        {
          "type": "R(meas)",
          "value": 0.396
        },
        {
          "type": "R(pim)",
          "value": 0.112
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 12.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.978
        }
      ]
    },
    {
      "resolution_limits": [1.890,1.810],
      "number_observations_unique": 8560,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.291
        },
        {
          "type": "R(meas)",
          "value": 0.302
        },
        {
          "type": "R(pim)",
          "value": 0.078
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 14.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [1.990,1.890],
      "number_observations_unique": 8496,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.226
        },
        {
          "type": "R(meas)",
          "value": 0.233
        },
        {
          "type": "R(pim)",
          "value": 0.060
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 15.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [2.110,1.990],
      "number_observations_unique": 8581,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.186
        },
        {
          "type": "R(meas)",
          "value": 0.192
        },
        {
          "type": "R(pim)",
          "value": 0.048
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 15.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [2.270,2.110],
      "number_observations_unique": 8537,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.161
        },
        {
          "type": "R(meas)",
          "value": 0.166
        },
        {
          "type": "R(pim)",
          "value": 0.041
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 16.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [2.500,2.270],
      "number_observations_unique": 8625,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.143
        },
        {
          "type": "R(meas)",
          "value": 0.147
        },
        {
          "type": "R(pim)",
          "value": 0.035
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 17.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [2.870,2.500],
      "number_observations_unique": 8556,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.126
        },
        {
          "type": "R(meas)",
          "value": 0.130
        },
        {
          "type": "R(pim)",
          "value": 0.031
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 17.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [3.610,2.870],
      "number_observations_unique": 8599,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.110
        },
        {
          "type": "R(meas)",
          "value": 0.113
        },
        {
          "type": "R(pim)",
          "value": 0.028
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 16.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [49.39,3.610],
      "number_observations_unique": 8710,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.100
        },
        {
          "type": "R(meas)",
          "value": 0.104
        },
        {
          "type": "R(pim)",
          "value": 0.025
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 17.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    }
  ]

}

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 49.390 49.390 1.380
High resolution limit [Å] 1.320 3.610 1.350
R(merge) 0.1360 0.1000 1.4220
R(meas) 0.1410 0.1040 1.5230
R(pim) 0.0350 0.0250 0.5290
CC(1/2) 0.985 0.996 0.604
Completeness [%] 99.3 100.0 97.6
Multiplicity 12.9 17.3 7.0

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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
49.390-3.610 0.1000 0.1040 0.0250 0.996 100.0 17.3
3.610-2.870 0.1100 0.1130 0.0280 0.997 100.0 16.7
2.870-2.500 0.1260 0.1300 0.0310 0.996 100.0 17.6
2.500-2.270 0.1430 0.1470 0.0350 0.995 100.0 17.4
2.270-2.110 0.1610 0.1660 0.0410 0.993 100.0 16.0
2.110-1.990 0.1860 0.1920 0.0480 0.992 100.0 15.9
1.990-1.890 0.2260 0.2330 0.0600 0.991 100.0 15.1
1.890-1.810 0.2910 0.3020 0.0780 0.987 99.9 14.5
1.810-1.740 0.3800 0.3960 0.1120 0.978 99.6 12.1
1.740-1.680 0.5100 0.5300 0.1450 0.968 99.8 12.9
1.680-1.620 0.6280 0.6530 0.1770 0.963 99.8 13.1
1.620-1.580 0.8330 0.8650 0.2330 0.942 99.7 13.2
1.580-1.540 1.0030 1.0420 0.2810 0.934 99.7 13.2
1.540-1.500 1.2310 1.2870 0.3720 0.856 99.6 11.6
1.500-1.460 1.2950 1.3570 0.4000 0.843 99.5 11.0
1.460-1.430 1.3950 1.4670 0.4460 0.791 99.5 10.1
1.430-1.400 1.4200 1.5010 0.4780 0.742 99.2 9.1
1.400-1.380 1.5170 1.6160 0.5430 0.613 99.1 7.9
1.380-1.350 1.4220 1.5230 0.5290 0.604 97.6 7.0
1.350-1.320 1.3900 1.5220 0.5970 0.513 92.1 5.3