Data quality metrics extracted from 7fqk.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": "d441d2ee03708362f155414ab483d9d4",
  "space_group_name": "P 43 21 2",
  "unit_cell": {
    "a": 102.489,
    "b": 102.489,
    "c": 330.991,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.99991],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [87.13,1.970],
    "number_observations": 1705797,
    "number_observations_unique": 125523,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.531
      },
      {
        "type": "R(meas)",
        "value": 0.552
      },
      {
        "type": "I/SigI",
        "value": 4.820
      },
      {
        "type": "Completeness",
        "value": 99.800
      },
      {
        "type": "Redundancy",
        "value": 13.590
      },
      {
        "type": "CC(1/2)",
        "value": 0.996
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.020,1.970],
      "number_observations": 126912,
      "number_observations_unique": 9103,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 19.236
        },
        {
          "type": "R(meas)",
          "value": 19.961
        },
        {
          "type": "I/SigI",
          "value": 0.040
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 13.942
        },
        {
          "type": "CC(1/2)",
          "value": 0.107
        }
      ]
    },
    {
      "resolution_limits": [2.080,2.020],
      "number_observations": 125295,
      "number_observations_unique": 8920,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 15.595
        },
        {
          "type": "R(meas)",
          "value": 16.179
        },
        {
          "type": "I/SigI",
          "value": 0.100
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 14.047
        },
        {
          "type": "CC(1/2)",
          "value": 0.268
        }
      ]
    },
    {
      "resolution_limits": [2.140,2.080],
      "number_observations": 121547,
      "number_observations_unique": 8700,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 11.869
        },
        {
          "type": "R(meas)",
          "value": 12.316
        },
        {
          "type": "I/SigI",
          "value": 0.170
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 13.971
        },
        {
          "type": "CC(1/2)",
          "value": 0.323
        }
      ]
    },
    {
      "resolution_limits": [2.200,2.140],
      "number_observations": 115435,
      "number_observations_unique": 8360,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 8.318
        },
        {
          "type": "R(meas)",
          "value": 8.636
        },
        {
          "type": "I/SigI",
          "value": 0.300
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 13.808
        },
        {
          "type": "CC(1/2)",
          "value": 0.569
        }
      ]
    },
    {
      "resolution_limits": [2.270,2.200],
      "number_observations": 111384,
      "number_observations_unique": 8199,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 6.490
        },
        {
          "type": "R(meas)",
          "value": 6.742
        },
        {
          "type": "I/SigI",
          "value": 0.410
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 13.585
        },
        {
          "type": "CC(1/2)",
          "value": 0.459
        }
      ]
    },
    {
      "resolution_limits": [2.350,2.270],
      "number_observations": 103335,
      "number_observations_unique": 7902,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.589
        },
        {
          "type": "R(meas)",
          "value": 4.775
        },
        {
          "type": "I/SigI",
          "value": 0.610
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 13.077
        },
        {
          "type": "CC(1/2)",
          "value": 0.691
        }
      ]
    },
    {
      "resolution_limits": [2.440,2.350],
      "number_observations": 99760,
      "number_observations_unique": 7702,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 4.228
        },
        {
          "type": "R(meas)",
          "value": 4.402
        },
        {
          "type": "I/SigI",
          "value": 0.650
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 12.952
        },
        {
          "type": "CC(1/2)",
          "value": 0.797
        }
      ]
    },
    {
      "resolution_limits": [2.540,2.440],
      "number_observations": 102103,
      "number_observations_unique": 7343,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.954
        },
        {
          "type": "R(meas)",
          "value": 3.066
        },
        {
          "type": "I/SigI",
          "value": 1.030
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 13.905
        },
        {
          "type": "CC(1/2)",
          "value": 0.820
        }
      ]
    },
    {
      "resolution_limits": [2.660,2.540],
      "number_observations": 100678,
      "number_observations_unique": 7097,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.207
        },
        {
          "type": "R(meas)",
          "value": 2.289
        },
        {
          "type": "I/SigI",
          "value": 1.420
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 14.186
        },
        {
          "type": "CC(1/2)",
          "value": 0.896
        }
      ]
    },
    {
      "resolution_limits": [2.780,2.660],
      "number_observations": 95671,
      "number_observations_unique": 6807,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.743
        },
        {
          "type": "R(meas)",
          "value": 1.808
        },
        {
          "type": "I/SigI",
          "value": 1.820
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 14.055
        },
        {
          "type": "CC(1/2)",
          "value": 0.957
        }
      ]
    },
    {
      "resolution_limits": [2.940,2.780],
      "number_observations": 90420,
      "number_observations_unique": 6499,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.261
        },
        {
          "type": "R(meas)",
          "value": 1.309
        },
        {
          "type": "I/SigI",
          "value": 2.490
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.913
        },
        {
          "type": "CC(1/2)",
          "value": 0.978
        }
      ]
    },
    {
      "resolution_limits": [3.110,2.940],
      "number_observations": 83599,
      "number_observations_unique": 6128,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.811
        },
        {
          "type": "R(meas)",
          "value": 0.842
        },
        {
          "type": "I/SigI",
          "value": 3.680
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 13.642
        },
        {
          "type": "CC(1/2)",
          "value": 0.991
        }
      ]
    },
    {
      "resolution_limits": [3.330,3.110],
      "number_observations": 75871,
      "number_observations_unique": 5803,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.512
        },
        {
          "type": "R(meas)",
          "value": 0.533
        },
        {
          "type": "I/SigI",
          "value": 5.580
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 13.074
        },
        {
          "type": "CC(1/2)",
          "value": 0.995
        }
      ]
    },
    {
      "resolution_limits": [3.590,3.330],
      "number_observations": 67750,
      "number_observations_unique": 5399,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.290
        },
        {
          "type": "R(meas)",
          "value": 0.303
        },
        {
          "type": "I/SigI",
          "value": 8.840
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.549
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.940,3.590],
      "number_observations": 70265,
      "number_observations_unique": 5040,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.199
        },
        {
          "type": "R(meas)",
          "value": 0.207
        },
        {
          "type": "I/SigI",
          "value": 13.360
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.941
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [4.400,3.940],
      "number_observations": 63316,
      "number_observations_unique": 4543,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.135
        },
        {
          "type": "R(meas)",
          "value": 0.140
        },
        {
          "type": "I/SigI",
          "value": 18.080
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.937
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [5.080,4.400],
      "number_observations": 54893,
      "number_observations_unique": 4062,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "R(meas)",
          "value": 0.103
        },
        {
          "type": "I/SigI",
          "value": 22.170
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 13.514
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [6.230,5.080],
      "number_observations": 44018,
      "number_observations_unique": 3478,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.110
        },
        {
          "type": "R(meas)",
          "value": 0.114
        },
        {
          "type": "I/SigI",
          "value": 20.770
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.656
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [8.810,6.230],
      "number_observations": 33803,
      "number_observations_unique": 2770,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.079
        },
        {
          "type": "R(meas)",
          "value": 0.082
        },
        {
          "type": "I/SigI",
          "value": 24.650
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.203
        }
      ]
    },
    {
      "resolution_limits": [87.130,8.810],
      "number_observations": 19742,
      "number_observations_unique": 1668,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.047
        },
        {
          "type": "I/SigI",
          "value": 34.610
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 11.836
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 87.130 87.130 2.080
High resolution limit [Å] 1.970 8.810 2.020
R(merge) 0.5310 0.0450 15.5950
R(meas) 0.5520 0.0470 16.1790
CC(1/2) 0.996 - 0.268
Completeness [%] 99.8 99.7 99.7
Multiplicity 13.6 11.8 14.0


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
87.130-8.810 0.0450 0.0470 - 99.7 11.8
8.810-6.230 0.0790 0.0820 - 100.0 12.2
6.230-5.080 0.1100 0.1140 1.000 100.0 12.7
5.080-4.400 0.0990 0.1030 0.999 100.0 13.5
4.400-3.940 0.1350 0.1400 0.997 100.0 13.9
3.940-3.590 0.1990 0.2070 0.998 100.0 13.9
3.590-3.330 0.2900 0.3030 0.997 100.0 12.5
3.330-3.110 0.5120 0.5330 0.995 99.9 14.1
3.110-2.940 0.8110 0.8420 0.991 99.9 13.6
2.940-2.780 1.2610 1.3090 0.978 100.0 13.9
2.780-2.660 1.7430 1.8080 0.957 100.0 15.1
2.660-2.540 2.2070 2.2890 0.896 99.9 14.2
2.540-2.440 2.9540 3.0660 0.820 99.8 13.9
2.440-2.350 4.2280 4.4020 0.797 99.9 13.0
2.350-2.270 4.5890 4.7750 0.691 99.8 14.1
2.270-2.200 6.4900 6.7420 0.459 99.8 13.6
2.200-2.140 8.3180 8.6360 0.569 99.6 13.8
2.140-2.080 11.8690 12.3160 0.323 99.8 14.0
2.080-2.020 15.5950 16.1790 0.268 99.7 14.0
2.020-1.970 19.2360 19.9610 0.107 99.7 13.9