Data quality metrics extracted from 6czf.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": "7a7e4971538f6db795e75910d7c9a403",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 107.293,
    "b": 115.339,
    "c": 156.066,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97910],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [100.000,1.949],
    "number_observations_unique": 141205,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.087
      },
      {
        "type": "R(meas)",
        "value": 0.094
      },
      {
        "type": "R(pim)",
        "value": 0.037
      },
      {
        "type": "I/SigI",
        "value": 4.800
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 6.400
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.980,1.950],
      "number_observations_unique": 6903,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.492
        },
        {
          "type": "R(meas)",
          "value": 1.662
        },
        {
          "type": "R(pim)",
          "value": 0.720
        },
        {
          "type": "Completeness",
          "value": 99.000
        },
        {
          "type": "Redundancy",
          "value": 5.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.507
        }
      ]
    },
    {
      "resolution_limits": [2.020,1.980],
      "number_observations_unique": 6988,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.194
        },
        {
          "type": "R(meas)",
          "value": 1.313
        },
        {
          "type": "R(pim)",
          "value": 0.538
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 5.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.683
        }
      ]
    },
    {
      "resolution_limits": [2.060,2.020],
      "number_observations_unique": 6976,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.058
        },
        {
          "type": "R(meas)",
          "value": 1.157
        },
        {
          "type": "R(pim)",
          "value": 0.463
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.733
        }
      ]
    },
    {
      "resolution_limits": [2.100,2.060],
      "number_observations_unique": 6995,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.843
        },
        {
          "type": "R(meas)",
          "value": 0.925
        },
        {
          "type": "R(pim)",
          "value": 0.376
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.796
        }
      ]
    },
    {
      "resolution_limits": [2.150,2.100],
      "number_observations_unique": 6997,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.700
        },
        {
          "type": "R(meas)",
          "value": 0.764
        },
        {
          "type": "R(pim)",
          "value": 0.302
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.857
        }
      ]
    },
    {
      "resolution_limits": [2.200,2.150],
      "number_observations_unique": 7020,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.591
        },
        {
          "type": "R(meas)",
          "value": 0.640
        },
        {
          "type": "R(pim)",
          "value": 0.243
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.917
        }
      ]
    },
    {
      "resolution_limits": [2.250,2.200],
      "number_observations_unique": 6991,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.475
        },
        {
          "type": "R(meas)",
          "value": 0.515
        },
        {
          "type": "R(pim)",
          "value": 0.196
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.928
        }
      ]
    },
    {
      "resolution_limits": [2.310,2.250],
      "number_observations_unique": 7022,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.427
        },
        {
          "type": "R(meas)",
          "value": 0.463
        },
        {
          "type": "R(pim)",
          "value": 0.177
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.947
        }
      ]
    },
    {
      "resolution_limits": [2.380,2.310],
      "number_observations_unique": 6995,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.344
        },
        {
          "type": "R(meas)",
          "value": 0.373
        },
        {
          "type": "R(pim)",
          "value": 0.143
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.965
        }
      ]
    },
    {
      "resolution_limits": [2.460,2.380],
      "number_observations_unique": 7043,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.283
        },
        {
          "type": "R(meas)",
          "value": 0.308
        },
        {
          "type": "R(pim)",
          "value": 0.119
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.972
        }
      ]
    },
    {
      "resolution_limits": [2.540,2.460],
      "number_observations_unique": 7023,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.232
        },
        {
          "type": "R(meas)",
          "value": 0.254
        },
        {
          "type": "R(pim)",
          "value": 0.102
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.100
        },
        {
          "type": "CC(1/2)",
          "value": 0.977
        }
      ]
    },
    {
      "resolution_limits": [2.650,2.540],
      "number_observations_unique": 7024,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.197
        },
        {
          "type": "R(meas)",
          "value": 0.214
        },
        {
          "type": "R(pim)",
          "value": 0.084
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.400
        },
        {
          "type": "CC(1/2)",
          "value": 0.986
        }
      ]
    },
    {
      "resolution_limits": [2.770,2.650],
      "number_observations_unique": 7071,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.162
        },
        {
          "type": "R(meas)",
          "value": 0.175
        },
        {
          "type": "R(pim)",
          "value": 0.066
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.900
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [2.910,2.770],
      "number_observations_unique": 7060,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.135
        },
        {
          "type": "R(meas)",
          "value": 0.146
        },
        {
          "type": "R(pim)",
          "value": 0.056
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.992
        }
      ]
    },
    {
      "resolution_limits": [3.100,2.910],
      "number_observations_unique": 7055,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.111
        },
        {
          "type": "R(meas)",
          "value": 0.121
        },
        {
          "type": "R(pim)",
          "value": 0.046
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [3.330,3.100],
      "number_observations_unique": 7093,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.093
        },
        {
          "type": "R(meas)",
          "value": 0.101
        },
        {
          "type": "R(pim)",
          "value": 0.040
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.670,3.330],
      "number_observations_unique": 7128,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.080
        },
        {
          "type": "R(meas)",
          "value": 0.087
        },
        {
          "type": "R(pim)",
          "value": 0.033
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 6.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [4.200,3.670],
      "number_observations_unique": 7144,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.067
        },
        {
          "type": "R(meas)",
          "value": 0.072
        },
        {
          "type": "R(pim)",
          "value": 0.027
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.800
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [5.290,4.200],
      "number_observations_unique": 7203,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.055
        },
        {
          "type": "R(meas)",
          "value": 0.060
        },
        {
          "type": "R(pim)",
          "value": 0.023
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.300
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [100.000,5.290],
      "number_observations_unique": 7474,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "R(meas)",
          "value": 0.052
        },
        {
          "type": "R(pim)",
          "value": 0.021
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 6.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 100.000 100.000 2.020
High resolution limit [Å] 1.949 5.290 1.980
R(merge) 0.0870 0.0480 1.1940
R(meas) 0.0940 0.0520 1.3130
R(pim) 0.0370 0.0210 0.5380
CC(1/2) - 0.998 0.683
Completeness [%] 99.9 99.6 99.8
Multiplicity 6.4 6.5 5.8


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

Resolution [Å] R(merge) R(meas) R(pim) CC(1/2) Completeness [%] Multiplicity
100.000-5.290 0.0480 0.0520 0.0210 0.998 99.6 6.5
5.290-4.200 0.0550 0.0600 0.0230 0.998 99.8 6.3
4.200-3.670 0.0670 0.0720 0.0270 0.997 99.9 6.8
3.670-3.330 0.0800 0.0870 0.0330 0.996 100.0 6.8
3.330-3.100 0.0930 0.1010 0.0400 0.995 99.9 6.2
3.100-2.910 0.1110 0.1210 0.0460 0.993 100.0 6.7
2.910-2.770 0.1350 0.1460 0.0560 0.992 99.9 6.8
2.770-2.650 0.1620 0.1750 0.0660 0.990 99.9 6.9
2.650-2.540 0.1970 0.2140 0.0840 0.986 100.0 6.4
2.540-2.460 0.2320 0.2540 0.1020 0.977 99.9 6.1
2.460-2.380 0.2830 0.3080 0.1190 0.972 99.9 6.6
2.380-2.310 0.3440 0.3730 0.1430 0.965 100.0 6.7
2.310-2.250 0.4270 0.4630 0.1770 0.947 100.0 6.7
2.250-2.200 0.4750 0.5150 0.1960 0.928 100.0 6.8
2.200-2.150 0.5910 0.6400 0.2430 0.917 100.0 6.9
2.150-2.100 0.7000 0.7640 0.3020 0.857 99.9 6.3
2.100-2.060 0.8430 0.9250 0.3760 0.796 99.9 5.9
2.060-2.020 1.0580 1.1570 0.4630 0.733 100.0 6.1
2.020-1.980 1.1940 1.3130 0.5380 0.683 99.8 5.8
1.980-1.950 1.4920 1.6620 0.7200 0.507 99.0 5.1