Data quality metrics extracted from 6d35.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": "1c36d58aeae58eddda6b8d14682ba467",
  "space_group_name": "C 1 2 1",
  "unit_cell": {
    "a": 147.551,
    "b": 77.262,
    "c": 103.343,
    "alpha": 90.00,
    "beta": 108.31,
    "gamma": 90.00
  },
  "wavelengths": [1.03330],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,3.900],
    "number_observations": 18197,
    "number_observations_unique": 8172,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.192
      },
      {
        "type": "R(meas)",
        "value": 0.239
      },
      {
        "type": "R(pim)",
        "value": 0.139
      },
      {
        "type": "I/SigI",
        "value": 5.000
      },
      {
        "type": "Completeness",
        "value": 79.300
      },
      {
        "type": "Redundancy",
        "value": 2.200
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.970,3.900],
      "number_observations_unique": 308,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.526
        },
        {
          "type": "R(meas)",
          "value": 0.706
        },
        {
          "type": "R(pim)",
          "value": 0.466
        },
        {
          "type": "Completeness",
          "value": 60.200
        },
        {
          "type": "Redundancy",
          "value": 1.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.474
        }
      ]
    },
    {
      "resolution_limits": [4.040,3.970],
      "number_observations_unique": 307,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.650
        },
        {
          "type": "R(meas)",
          "value": 0.868
        },
        {
          "type": "R(pim)",
          "value": 0.571
        },
        {
          "type": "Completeness",
          "value": 61.000
        },
        {
          "type": "Redundancy",
          "value": 1.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.412
        }
      ]
    },
    {
      "resolution_limits": [4.120,4.040],
      "number_observations_unique": 324,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.705
        },
        {
          "type": "R(meas)",
          "value": 0.955
        },
        {
          "type": "R(pim)",
          "value": 0.640
        },
        {
          "type": "Completeness",
          "value": 64.200
        },
        {
          "type": "Redundancy",
          "value": 1.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.353
        }
      ]
    },
    {
      "resolution_limits": [4.200,4.120],
      "number_observations_unique": 358,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.454
        },
        {
          "type": "R(meas)",
          "value": 0.596
        },
        {
          "type": "R(pim)",
          "value": 0.382
        },
        {
          "type": "Completeness",
          "value": 69.000
        },
        {
          "type": "Redundancy",
          "value": 1.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.603
        }
      ]
    },
    {
      "resolution_limits": [4.290,4.200],
      "number_observations_unique": 326,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.413
        },
        {
          "type": "R(meas)",
          "value": 0.533
        },
        {
          "type": "R(pim)",
          "value": 0.334
        },
        {
          "type": "Completeness",
          "value": 64.700
        },
        {
          "type": "Redundancy",
          "value": 1.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.674
        }
      ]
    },
    {
      "resolution_limits": [4.390,4.290],
      "number_observations_unique": 347,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.458
        },
        {
          "type": "R(meas)",
          "value": 0.601
        },
        {
          "type": "R(pim)",
          "value": 0.383
        },
        {
          "type": "Completeness",
          "value": 67.400
        },
        {
          "type": "Redundancy",
          "value": 1.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.578
        }
      ]
    },
    {
      "resolution_limits": [4.500,4.390],
      "number_observations_unique": 356,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.352
        },
        {
          "type": "R(meas)",
          "value": 0.456
        },
        {
          "type": "R(pim)",
          "value": 0.286
        },
        {
          "type": "Completeness",
          "value": 71.300
        },
        {
          "type": "Redundancy",
          "value": 1.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.738
        }
      ]
    },
    {
      "resolution_limits": [4.620,4.500],
      "number_observations_unique": 384,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.332
        },
        {
          "type": "R(meas)",
          "value": 0.427
        },
        {
          "type": "R(pim)",
          "value": 0.265
        },
        {
          "type": "Completeness",
          "value": 72.000
        },
        {
          "type": "Redundancy",
          "value": 1.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.776
        }
      ]
    },
    {
      "resolution_limits": [4.760,4.620],
      "number_observations_unique": 355,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.293
        },
        {
          "type": "R(meas)",
          "value": 0.369
        },
        {
          "type": "R(pim)",
          "value": 0.222
        },
        {
          "type": "Completeness",
          "value": 72.600
        },
        {
          "type": "Redundancy",
          "value": 2.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.818
        }
      ]
    },
    {
      "resolution_limits": [4.910,4.760],
      "number_observations_unique": 410,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.267
        },
        {
          "type": "R(meas)",
          "value": 0.339
        },
        {
          "type": "R(pim)",
          "value": 0.206
        },
        {
          "type": "Completeness",
          "value": 77.200
        },
        {
          "type": "Redundancy",
          "value": 2.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.859
        }
      ]
    },
    {
      "resolution_limits": [5.090,4.910],
      "number_observations_unique": 392,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.239
        },
        {
          "type": "R(meas)",
          "value": 0.302
        },
        {
          "type": "R(pim)",
          "value": 0.182
        },
        {
          "type": "Completeness",
          "value": 78.700
        },
        {
          "type": "Redundancy",
          "value": 2.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.905
        }
      ]
    },
    {
      "resolution_limits": [5.290,5.090],
      "number_observations_unique": 422,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.275
        },
        {
          "type": "R(meas)",
          "value": 0.343
        },
        {
          "type": "R(pim)",
          "value": 0.201
        },
        {
          "type": "Completeness",
          "value": 82.400
        },
        {
          "type": "Redundancy",
          "value": 2.000
        },
        {
          "type": "CC(1/2)",
          "value": 0.848
        }
      ]
    },
    {
      "resolution_limits": [5.530,5.290],
      "number_observations_unique": 459,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.326
        },
        {
          "type": "R(meas)",
          "value": 0.404
        },
        {
          "type": "R(pim)",
          "value": 0.235
        },
        {
          "type": "Completeness",
          "value": 88.600
        },
        {
          "type": "Redundancy",
          "value": 2.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.858
        }
      ]
    },
    {
      "resolution_limits": [5.820,5.530],
      "number_observations_unique": 464,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.339
        },
        {
          "type": "R(meas)",
          "value": 0.424
        },
        {
          "type": "R(pim)",
          "value": 0.249
        },
        {
          "type": "Completeness",
          "value": 91.000
        },
        {
          "type": "Redundancy",
          "value": 2.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.788
        }
      ]
    },
    {
      "resolution_limits": [6.190,5.820],
      "number_observations_unique": 474,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.358
        },
        {
          "type": "R(meas)",
          "value": 0.438
        },
        {
          "type": "R(pim)",
          "value": 0.247
        },
        {
          "type": "Completeness",
          "value": 91.500
        },
        {
          "type": "Redundancy",
          "value": 2.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.808
        }
      ]
    },
    {
      "resolution_limits": [6.660,6.190],
      "number_observations_unique": 490,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.287
        },
        {
          "type": "R(meas)",
          "value": 0.351
        },
        {
          "type": "R(pim)",
          "value": 0.198
        },
        {
          "type": "Completeness",
          "value": 95.100
        },
        {
          "type": "Redundancy",
          "value": 2.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.883
        }
      ]
    },
    {
      "resolution_limits": [7.330,6.660],
      "number_observations_unique": 505,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.204
        },
        {
          "type": "R(meas)",
          "value": 0.241
        },
        {
          "type": "R(pim)",
          "value": 0.126
        },
        {
          "type": "Completeness",
          "value": 97.300
        },
        {
          "type": "Redundancy",
          "value": 3.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.955
        }
      ]
    },
    {
      "resolution_limits": [8.390,7.330],
      "number_observations_unique": 517,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.148
        },
        {
          "type": "R(meas)",
          "value": 0.174
        },
        {
          "type": "R(pim)",
          "value": 0.089
        },
        {
          "type": "Completeness",
          "value": 97.500
        },
        {
          "type": "Redundancy",
          "value": 3.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.972
        }
      ]
    },
    {
      "resolution_limits": [10.550,8.390],
      "number_observations_unique": 490,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.100
        },
        {
          "type": "R(meas)",
          "value": 0.120
        },
        {
          "type": "R(pim)",
          "value": 0.065
        },
        {
          "type": "Completeness",
          "value": 92.800
        },
        {
          "type": "Redundancy",
          "value": 3.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [50.000,10.550],
      "number_observations_unique": 484,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.068
        },
        {
          "type": "R(meas)",
          "value": 0.084
        },
        {
          "type": "R(pim)",
          "value": 0.047
        },
        {
          "type": "Completeness",
          "value": 89.300
        },
        {
          "type": "Redundancy",
          "value": 2.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    }
  ]

}

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 50.000 4.040
High resolution limit [Å] 3.900 10.550 3.970
R(merge) 0.1920 0.0680 0.6500
R(meas) 0.2390 0.0840 0.8680
R(pim) 0.1390 0.0470 0.5710
CC(1/2) - 0.992 0.412
Completeness [%] 79.3 89.3 61.0
Multiplicity 2.2 2.9 1.5

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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
50.000-10.550 0.0680 0.0840 0.0470 0.992 89.3 2.9
10.550-8.390 0.1000 0.1200 0.0650 0.988 92.8 3.1
8.390-7.330 0.1480 0.1740 0.0890 0.972 97.5 3.3
7.330-6.660 0.2040 0.2410 0.1260 0.955 97.3 3.1
6.660-6.190 0.2870 0.3510 0.1980 0.883 95.1 2.6
6.190-5.820 0.3580 0.4380 0.2470 0.808 91.5 2.4
5.820-5.530 0.3390 0.4240 0.2490 0.788 91.0 2.2
5.530-5.290 0.3260 0.4040 0.2350 0.858 88.6 2.1
5.290-5.090 0.2750 0.3430 0.2010 0.848 82.4 2.0
5.090-4.910 0.2390 0.3020 0.1820 0.905 78.7 2.0
4.910-4.760 0.2670 0.3390 0.2060 0.859 77.2 2.0
4.760-4.620 0.2930 0.3690 0.2220 0.818 72.6 2.0
4.620-4.500 0.3320 0.4270 0.2650 0.776 72.0 1.9
4.500-4.390 0.3520 0.4560 0.2860 0.738 71.3 1.7
4.390-4.290 0.4580 0.6010 0.3830 0.578 67.4 1.7
4.290-4.200 0.4130 0.5330 0.3340 0.674 64.7 1.8
4.200-4.120 0.4540 0.5960 0.3820 0.603 69.0 1.6
4.120-4.040 0.7050 0.9550 0.6400 0.353 64.2 1.6
4.040-3.970 0.6500 0.8680 0.5710 0.412 61.0 1.5
3.970-3.900 0.5260 0.7060 0.4660 0.474 60.2 1.5