Data quality metrics extracted from 6b95.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": "cc468d6ea83344d7d8ef81cbf706a6ef",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 87.96,
    "b": 87.96,
    "c": 104.63,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [1.11583],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [43.980,1.950],
    "number_observations": 170040,
    "number_observations_unique": 34580,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.087
      },
      {
        "type": "R(meas)",
        "value": 0.098
      },
      {
        "type": "I/SigI",
        "value": 11.610
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 4.917
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.000,1.950],
      "number_observations": 12558,
      "number_observations_unique": 2515,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.837
        },
        {
          "type": "R(meas)",
          "value": 2.053
        },
        {
          "type": "I/SigI",
          "value": 0.810
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.993
        },
        {
          "type": "CC(1/2)",
          "value": 0.281
        }
      ]
    },
    {
      "resolution_limits": [2.060,2.000],
      "number_observations": 12037,
      "number_observations_unique": 2466,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.659
        },
        {
          "type": "R(meas)",
          "value": 1.859
        },
        {
          "type": "I/SigI",
          "value": 0.950
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 4.881
        },
        {
          "type": "CC(1/2)",
          "value": 0.369
        }
      ]
    },
    {
      "resolution_limits": [2.120,2.060],
      "number_observations": 11127,
      "number_observations_unique": 2385,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.167
        },
        {
          "type": "R(meas)",
          "value": 1.315
        },
        {
          "type": "I/SigI",
          "value": 1.290
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.665
        },
        {
          "type": "CC(1/2)",
          "value": 0.467
        }
      ]
    },
    {
      "resolution_limits": [2.180,2.120],
      "number_observations": 11135,
      "number_observations_unique": 2334,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.848
        },
        {
          "type": "R(meas)",
          "value": 0.953
        },
        {
          "type": "I/SigI",
          "value": 1.810
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 4.771
        },
        {
          "type": "CC(1/2)",
          "value": 0.638
        }
      ]
    },
    {
      "resolution_limits": [2.250,2.180],
      "number_observations": 11752,
      "number_observations_unique": 2279,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.684
        },
        {
          "type": "R(meas)",
          "value": 0.761
        },
        {
          "type": "I/SigI",
          "value": 2.390
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.157
        },
        {
          "type": "CC(1/2)",
          "value": 0.759
        }
      ]
    },
    {
      "resolution_limits": [2.330,2.250],
      "number_observations": 11045,
      "number_observations_unique": 2156,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.579
        },
        {
          "type": "R(meas)",
          "value": 0.644
        },
        {
          "type": "I/SigI",
          "value": 2.890
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.123
        },
        {
          "type": "CC(1/2)",
          "value": 0.803
        }
      ]
    },
    {
      "resolution_limits": [2.420,2.330],
      "number_observations": 10834,
      "number_observations_unique": 2125,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.428
        },
        {
          "type": "R(meas)",
          "value": 0.477
        },
        {
          "type": "I/SigI",
          "value": 3.850
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.098
        },
        {
          "type": "CC(1/2)",
          "value": 0.886
        }
      ]
    },
    {
      "resolution_limits": [2.520,2.420],
      "number_observations": 10305,
      "number_observations_unique": 2037,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.345
        },
        {
          "type": "R(meas)",
          "value": 0.385
        },
        {
          "type": "I/SigI",
          "value": 4.690
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.059
        },
        {
          "type": "CC(1/2)",
          "value": 0.912
        }
      ]
    },
    {
      "resolution_limits": [2.630,2.520],
      "number_observations": 9610,
      "number_observations_unique": 1963,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.264
        },
        {
          "type": "R(meas)",
          "value": 0.295
        },
        {
          "type": "I/SigI",
          "value": 6.140
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.896
        },
        {
          "type": "CC(1/2)",
          "value": 0.956
        }
      ]
    },
    {
      "resolution_limits": [2.760,2.630],
      "number_observations": 8669,
      "number_observations_unique": 1881,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.199
        },
        {
          "type": "R(meas)",
          "value": 0.225
        },
        {
          "type": "I/SigI",
          "value": 7.400
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 4.609
        },
        {
          "type": "CC(1/2)",
          "value": 0.971
        }
      ]
    },
    {
      "resolution_limits": [2.910,2.760],
      "number_observations": 9195,
      "number_observations_unique": 1786,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.157
        },
        {
          "type": "R(meas)",
          "value": 0.175
        },
        {
          "type": "I/SigI",
          "value": 10.280
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.148
        },
        {
          "type": "CC(1/2)",
          "value": 0.983
        }
      ]
    },
    {
      "resolution_limits": [3.080,2.910],
      "number_observations": 8732,
      "number_observations_unique": 1686,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.108
        },
        {
          "type": "R(meas)",
          "value": 0.121
        },
        {
          "type": "I/SigI",
          "value": 14.010
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 5.179
        },
        {
          "type": "CC(1/2)",
          "value": 0.993
        }
      ]
    },
    {
      "resolution_limits": [3.300,3.080],
      "number_observations": 8133,
      "number_observations_unique": 1591,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.082
        },
        {
          "type": "R(meas)",
          "value": 0.091
        },
        {
          "type": "I/SigI",
          "value": 18.480
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 5.112
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.560,3.300],
      "number_observations": 7473,
      "number_observations_unique": 1495,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "R(meas)",
          "value": 0.061
        },
        {
          "type": "I/SigI",
          "value": 25.330
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 4.999
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [3.900,3.560],
      "number_observations": 6046,
      "number_observations_unique": 1366,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "R(meas)",
          "value": 0.053
        },
        {
          "type": "I/SigI",
          "value": 29.250
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 4.426
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.360,3.900],
      "number_observations": 6084,
      "number_observations_unique": 1261,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "R(meas)",
          "value": 0.039
        },
        {
          "type": "I/SigI",
          "value": 37.180
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 4.825
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [5.030,4.360],
      "number_observations": 5288,
      "number_observations_unique": 1097,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.031
        },
        {
          "type": "R(meas)",
          "value": 0.035
        },
        {
          "type": "I/SigI",
          "value": 42.540
        },
        {
          "type": "Completeness",
          "value": 98.500
        },
        {
          "type": "Redundancy",
          "value": 4.820
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [6.170,5.030],
      "number_observations": 4622,
      "number_observations_unique": 958,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.033
        },
        {
          "type": "R(meas)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 39.380
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 4.825
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [8.720,6.170],
      "number_observations": 3291,
      "number_observations_unique": 754,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "R(meas)",
          "value": 0.033
        },
        {
          "type": "I/SigI",
          "value": 40.540
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 4.365
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [43.980,8.720],
      "number_observations": 2104,
      "number_observations_unique": 445,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.021
        },
        {
          "type": "R(meas)",
          "value": 0.024
        },
        {
          "type": "I/SigI",
          "value": 52.300
        },
        {
          "type": "Completeness",
          "value": 99.300
        },
        {
          "type": "Redundancy",
          "value": 4.728
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 43.980 43.980 2.060
High resolution limit [Å] 1.950 8.720 2.000
R(merge) 0.0870 0.0210 1.6590
R(meas) 0.0980 0.0240 1.8590
CC(1/2) 0.999 0.999 0.369
Completeness [%] 99.8 99.3 99.8
Multiplicity 4.9 4.7 4.9


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
43.980-8.720 0.0210 0.0240 0.999 99.3 4.7
8.720-6.170 0.0290 0.0330 0.999 99.5 4.4
6.170-5.030 0.0330 0.0370 0.999 99.8 4.8
5.030-4.360 0.0310 0.0350 0.999 98.5 4.8
4.360-3.900 0.0350 0.0390 0.999 99.7 4.8
3.900-3.560 0.0470 0.0530 0.998 99.3 4.4
3.560-3.300 0.0540 0.0610 0.998 99.9 5.0
3.300-3.080 0.0820 0.0910 0.995 99.9 5.1
3.080-2.910 0.1080 0.1210 0.993 100.0 5.2
2.910-2.760 0.1570 0.1750 0.983 100.0 5.1
2.760-2.630 0.1990 0.2250 0.971 99.8 4.6
2.630-2.520 0.2640 0.2950 0.956 99.9 4.9
2.520-2.420 0.3450 0.3850 0.912 99.9 6.1
2.420-2.330 0.4280 0.4770 0.886 100.0 6.1
2.330-2.250 0.5790 0.6440 0.803 99.9 5.1
2.250-2.180 0.6840 0.7610 0.759 100.0 5.2
2.180-2.120 0.8480 0.9530 0.638 100.0 4.8
2.120-2.060 1.1670 1.3150 0.467 99.9 4.7
2.060-2.000 1.6590 1.8590 0.369 99.8 4.9
2.000-1.950 1.8370 2.0530 0.281 100.0 5.0