Data quality metrics extracted from 6jgi.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": "b137cbaf9734a0c7e4e36521ef71dbb7",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 50.857,
    "b": 62.403,
    "c": 69.172,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.75000],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,0.800],
    "number_observations_unique": 226086,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.090
      },
      {
        "type": "R(meas)",
        "value": 0.099
      },
      {
        "type": "R(pim)",
        "value": 0.039
      },
      {
        "type": "I/SigI",
        "value": 7.800
      },
      {
        "type": "Completeness",
        "value": 97.800
      },
      {
        "type": "Redundancy",
        "value": 5.700
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [0.810,0.800],
      "number_observations_unique": 11137,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.661
        },
        {
          "type": "R(meas)",
          "value": 1.847
        },
        {
          "type": "R(pim)",
          "value": 0.791
        },
        {
          "type": "Completeness",
          "value": 97.500
        },
        {
          "type": "Redundancy",
          "value": 5.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.295
        }
      ]
    },
    {
      "resolution_limits": [0.830,0.810],
      "number_observations_unique": 11219,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.532
        },
        {
          "type": "R(meas)",
          "value": 1.698
        },
        {
          "type": "R(pim)",
          "value": 0.720
        },
        {
          "type": "Completeness",
          "value": 97.800
        },
        {
          "type": "Redundancy",
          "value": 5.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.333
        }
      ]
    },
    {
      "resolution_limits": [0.840,0.830],
      "number_observations_unique": 11182,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.370
        },
        {
          "type": "R(meas)",
          "value": 1.518
        },
        {
          "type": "R(pim)",
          "value": 0.643
        },
        {
          "type": "Completeness",
          "value": 97.900
        },
        {
          "type": "Redundancy",
          "value": 5.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.391
        }
      ]
    },
    {
      "resolution_limits": [0.860,0.840],
      "number_observations_unique": 11269,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.180
        },
        {
          "type": "R(meas)",
          "value": 1.309
        },
        {
          "type": "R(pim)",
          "value": 0.555
        },
        {
          "type": "Completeness",
          "value": 98.000
        },
        {
          "type": "Redundancy",
          "value": 5.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.448
        }
      ]
    },
    {
      "resolution_limits": [0.880,0.860],
      "number_observations_unique": 11208,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.981
        },
        {
          "type": "R(meas)",
          "value": 1.088
        },
        {
          "type": "R(pim)",
          "value": 0.461
        },
        {
          "type": "Completeness",
          "value": 98.100
        },
        {
          "type": "Redundancy",
          "value": 5.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.574
        }
      ]
    },
    {
      "resolution_limits": [0.900,0.880],
      "number_observations_unique": 11171,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.817
        },
        {
          "type": "R(meas)",
          "value": 0.905
        },
        {
          "type": "R(pim)",
          "value": 0.382
        },
        {
          "type": "Completeness",
          "value": 97.700
        },
        {
          "type": "Redundancy",
          "value": 5.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.660
        }
      ]
    },
    {
      "resolution_limits": [0.920,0.900],
      "number_observations_unique": 11200,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.666
        },
        {
          "type": "R(meas)",
          "value": 0.737
        },
        {
          "type": "R(pim)",
          "value": 0.310
        },
        {
          "type": "Completeness",
          "value": 97.100
        },
        {
          "type": "Redundancy",
          "value": 5.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.749
        }
      ]
    },
    {
      "resolution_limits": [0.950,0.920],
      "number_observations_unique": 11082,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.530
        },
        {
          "type": "R(meas)",
          "value": 0.586
        },
        {
          "type": "R(pim)",
          "value": 0.245
        },
        {
          "type": "Completeness",
          "value": 96.900
        },
        {
          "type": "Redundancy",
          "value": 5.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.838
        }
      ]
    },
    {
      "resolution_limits": [0.980,0.950],
      "number_observations_unique": 11092,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.433
        },
        {
          "type": "R(meas)",
          "value": 0.479
        },
        {
          "type": "R(pim)",
          "value": 0.199
        },
        {
          "type": "Completeness",
          "value": 96.200
        },
        {
          "type": "Redundancy",
          "value": 5.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.893
        }
      ]
    },
    {
      "resolution_limits": [1.010,0.980],
      "number_observations_unique": 10999,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.345
        },
        {
          "type": "R(meas)",
          "value": 0.381
        },
        {
          "type": "R(pim)",
          "value": 0.158
        },
        {
          "type": "Completeness",
          "value": 95.900
        },
        {
          "type": "Redundancy",
          "value": 5.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.927
        }
      ]
    },
    {
      "resolution_limits": [1.040,1.010],
      "number_observations_unique": 10995,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.268
        },
        {
          "type": "R(meas)",
          "value": 0.296
        },
        {
          "type": "R(pim)",
          "value": 0.122
        },
        {
          "type": "Completeness",
          "value": 95.600
        },
        {
          "type": "Redundancy",
          "value": 5.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.955
        }
      ]
    },
    {
      "resolution_limits": [1.090,1.040],
      "number_observations_unique": 11012,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.207
        },
        {
          "type": "R(meas)",
          "value": 0.228
        },
        {
          "type": "R(pim)",
          "value": 0.093
        },
        {
          "type": "Completeness",
          "value": 95.700
        },
        {
          "type": "Redundancy",
          "value": 5.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.971
        }
      ]
    },
    {
      "resolution_limits": [1.140,1.090],
      "number_observations_unique": 11208,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.165
        },
        {
          "type": "R(meas)",
          "value": 0.181
        },
        {
          "type": "R(pim)",
          "value": 0.073
        },
        {
          "type": "Completeness",
          "value": 97.100
        },
        {
          "type": "Redundancy",
          "value": 5.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.979
        }
      ]
    },
    {
      "resolution_limits": [1.200,1.140],
      "number_observations_unique": 11362,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.140
        },
        {
          "type": "R(meas)",
          "value": 0.154
        },
        {
          "type": "R(pim)",
          "value": 0.062
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 5.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.984
        }
      ]
    },
    {
      "resolution_limits": [1.270,1.200],
      "number_observations_unique": 11510,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.121
        },
        {
          "type": "R(meas)",
          "value": 0.132
        },
        {
          "type": "R(pim)",
          "value": 0.053
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 5.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [1.370,1.270],
      "number_observations_unique": 11570,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.107
        },
        {
          "type": "R(meas)",
          "value": 0.117
        },
        {
          "type": "R(pim)",
          "value": 0.047
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [1.510,1.370],
      "number_observations_unique": 11612,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.092
        },
        {
          "type": "R(meas)",
          "value": 0.101
        },
        {
          "type": "R(pim)",
          "value": 0.040
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [1.720,1.510],
      "number_observations_unique": 11667,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.076
        },
        {
          "type": "R(meas)",
          "value": 0.083
        },
        {
          "type": "R(pim)",
          "value": 0.032
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [2.170,1.720],
      "number_observations_unique": 11763,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "R(pim)",
          "value": 0.027
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [50.000,2.170],
      "number_observations_unique": 11828,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.062
        },
        {
          "type": "R(meas)",
          "value": 0.067
        },
        {
          "type": "R(pim)",
          "value": 0.026
        },
        {
          "type": "Completeness",
          "value": 97.400
        },
        {
          "type": "Redundancy",
          "value": 6.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 50.000 0.830
High resolution limit [Å] 0.800 2.170 0.810
R(merge) 0.0900 0.0620 1.5320
R(meas) 0.0990 0.0670 1.6980
R(pim) 0.0390 0.0260 0.7200
CC(1/2) - 0.994 0.333
Completeness [%] 97.8 97.4 97.8
Multiplicity 5.7 6.5 5.4


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
50.000-2.170 0.0620 0.0670 0.0260 0.994 97.4 6.5
2.170-1.720 0.0660 0.0710 0.0270 0.996 100.0 6.8
1.720-1.510 0.0760 0.0830 0.0320 0.994 100.0 6.6
1.510-1.370 0.0920 0.1010 0.0400 0.993 100.0 6.3
1.370-1.270 0.1070 0.1170 0.0470 0.990 99.8 6.1
1.270-1.200 0.1210 0.1320 0.0530 0.987 99.6 5.9
1.200-1.140 0.1400 0.1540 0.0620 0.984 98.5 5.8
1.140-1.090 0.1650 0.1810 0.0730 0.979 97.1 5.7
1.090-1.040 0.2070 0.2280 0.0930 0.971 95.7 5.6
1.040-1.010 0.2680 0.2960 0.1220 0.955 95.6 5.5
1.010-0.980 0.3450 0.3810 0.1580 0.927 95.9 5.5
0.980-0.950 0.4330 0.4790 0.1990 0.893 96.2 5.4
0.950-0.920 0.5300 0.5860 0.2450 0.838 96.9 5.3
0.920-0.900 0.6660 0.7370 0.3100 0.749 97.1 5.3
0.900-0.880 0.8170 0.9050 0.3820 0.660 97.7 5.3
0.880-0.860 0.9810 1.0880 0.4610 0.574 98.1 5.3
0.860-0.840 1.1800 1.3090 0.5550 0.448 98.0 5.3
0.840-0.830 1.3700 1.5180 0.6430 0.391 97.9 5.3
0.830-0.810 1.5320 1.6980 0.7200 0.333 97.8 5.4
0.810-0.800 1.6610 1.8470 0.7910 0.295 97.5 5.2