Data quality metrics extracted from 6f5z.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": "3bce7594f1e31e1b79bd147cb2edd582",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 80.61,
    "b": 82.29,
    "c": 88.03,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.98007],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [48.190,1.350],
    "number_observations": 1586836,
    "number_observations_unique": 128740,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.084
      },
      {
        "type": "R(meas)",
        "value": 0.087
      },
      {
        "type": "I/SigI",
        "value": 14.410
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 12.326
      },
      {
        "type": "CC(1/2)",
        "value": 1.000
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.390,1.350],
      "number_observations_unique": 9434,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.728
        },
        {
          "type": "R(meas)",
          "value": 1.804
        },
        {
          "type": "I/SigI",
          "value": 1.310
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.117
        },
        {
          "type": "CC(1/2)",
          "value": 0.306
        }
      ]
    },
    {
      "resolution_limits": [1.420,1.390],
      "number_observations_unique": 9192,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.638
        },
        {
          "type": "R(meas)",
          "value": 1.711
        },
        {
          "type": "I/SigI",
          "value": 1.420
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.068
        },
        {
          "type": "CC(1/2)",
          "value": 0.389
        }
      ]
    },
    {
      "resolution_limits": [1.460,1.420],
      "number_observations_unique": 8938,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.370
        },
        {
          "type": "R(meas)",
          "value": 1.432
        },
        {
          "type": "I/SigI",
          "value": 1.760
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.989
        },
        {
          "type": "CC(1/2)",
          "value": 0.511
        }
      ]
    },
    {
      "resolution_limits": [1.510,1.460],
      "number_observations_unique": 8685,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.162
        },
        {
          "type": "R(meas)",
          "value": 1.215
        },
        {
          "type": "I/SigI",
          "value": 2.070
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.860
        },
        {
          "type": "CC(1/2)",
          "value": 0.663
        }
      ]
    },
    {
      "resolution_limits": [1.560,1.510],
      "number_observations_unique": 8448,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.941
        },
        {
          "type": "R(meas)",
          "value": 0.985
        },
        {
          "type": "I/SigI",
          "value": 2.610
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.533
        },
        {
          "type": "CC(1/2)",
          "value": 0.775
        }
      ]
    },
    {
      "resolution_limits": [1.610,1.560],
      "number_observations_unique": 8153,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.787
        },
        {
          "type": "R(meas)",
          "value": 0.827
        },
        {
          "type": "I/SigI",
          "value": 3.190
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 10.858
        },
        {
          "type": "CC(1/2)",
          "value": 0.838
        }
      ]
    },
    {
      "resolution_limits": [1.670,1.610],
      "number_observations_unique": 7857,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.603
        },
        {
          "type": "R(meas)",
          "value": 0.631
        },
        {
          "type": "I/SigI",
          "value": 4.470
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.621
        },
        {
          "type": "CC(1/2)",
          "value": 0.908
        }
      ]
    },
    {
      "resolution_limits": [1.740,1.670],
      "number_observations_unique": 7600,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.448
        },
        {
          "type": "R(meas)",
          "value": 0.469
        },
        {
          "type": "I/SigI",
          "value": 6.050
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.522
        },
        {
          "type": "CC(1/2)",
          "value": 0.953
        }
      ]
    },
    {
      "resolution_limits": [1.820,1.740],
      "number_observations_unique": 7279,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.325
        },
        {
          "type": "R(meas)",
          "value": 0.339
        },
        {
          "type": "I/SigI",
          "value": 8.630
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.557
        },
        {
          "type": "CC(1/2)",
          "value": 0.978
        }
      ]
    },
    {
      "resolution_limits": [1.910,1.820],
      "number_observations_unique": 6995,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.236
        },
        {
          "type": "R(meas)",
          "value": 0.246
        },
        {
          "type": "I/SigI",
          "value": 11.600
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.551
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    },
    {
      "resolution_limits": [2.010,1.910],
      "number_observations_unique": 6670,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.166
        },
        {
          "type": "R(meas)",
          "value": 0.174
        },
        {
          "type": "I/SigI",
          "value": 15.930
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.459
        },
        {
          "type": "CC(1/2)",
          "value": 0.994
        }
      ]
    },
    {
      "resolution_limits": [2.130,2.010],
      "number_observations_unique": 6287,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.124
        },
        {
          "type": "R(meas)",
          "value": 0.129
        },
        {
          "type": "I/SigI",
          "value": 20.320
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.375
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [2.280,2.130],
      "number_observations_unique": 5909,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.094
        },
        {
          "type": "R(meas)",
          "value": 0.098
        },
        {
          "type": "I/SigI",
          "value": 25.340
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 12.216
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [2.460,2.280],
      "number_observations_unique": 5533,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.077
        },
        {
          "type": "R(meas)",
          "value": 0.081
        },
        {
          "type": "I/SigI",
          "value": 28.870
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.941
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [2.700,2.460],
      "number_observations_unique": 5124,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.065
        },
        {
          "type": "R(meas)",
          "value": 0.069
        },
        {
          "type": "I/SigI",
          "value": 31.960
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.098
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [3.020,2.700],
      "number_observations_unique": 4645,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "R(meas)",
          "value": 0.057
        },
        {
          "type": "I/SigI",
          "value": 36.110
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.002
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [3.490,3.020],
      "number_observations_unique": 4107,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 43.860
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 11.491
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [4.270,3.490],
      "number_observations_unique": 3527,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "R(meas)",
          "value": 0.046
        },
        {
          "type": "I/SigI",
          "value": 55.620
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 15.778
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [6.040,4.270],
      "number_observations_unique": 2760,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "R(meas)",
          "value": 0.052
        },
        {
          "type": "I/SigI",
          "value": 67.030
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 25.013
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    },
    {
      "resolution_limits": [48.190,6.040],
      "number_observations_unique": 1597,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.045
        },
        {
          "type": "R(meas)",
          "value": 0.046
        },
        {
          "type": "I/SigI",
          "value": 54.650
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 17.786
        },
        {
          "type": "CC(1/2)",
          "value": 1.000
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 48.190 48.190 1.420
High resolution limit [Å] 1.350 6.040 1.390
R(merge) 0.0840 0.0450 1.6380
R(meas) 0.0870 0.0460 1.7110
CC(1/2) 1.000 1.000 0.389
Completeness [%] 100.0 99.8 100.0
Multiplicity 12.3 17.8 13.1


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
48.190-6.040 0.0450 0.0460 1.000 99.8 17.8
6.040-4.270 0.0510 0.0520 1.000 100.0 25.0
4.270-3.490 0.0440 0.0460 0.999 100.0 15.8
3.490-3.020 0.0430 0.0450 0.999 100.0 11.5
3.020-2.700 0.0540 0.0570 0.999 100.0 11.0
2.700-2.460 0.0650 0.0690 0.999 100.0 12.1
2.460-2.280 0.0770 0.0810 0.998 100.0 11.9
2.280-2.130 0.0940 0.0980 0.997 100.0 12.2
2.130-2.010 0.1240 0.1290 0.996 100.0 12.4
2.010-1.910 0.1660 0.1740 0.994 100.0 12.5
1.910-1.820 0.2360 0.2460 0.988 100.0 12.6
1.820-1.740 0.3250 0.3390 0.978 100.0 12.6
1.740-1.670 0.4480 0.4690 0.953 100.0 11.5
1.670-1.610 0.6030 0.6310 0.908 100.0 11.6
1.610-1.560 0.7870 0.8270 0.838 100.0 10.9
1.560-1.510 0.9410 0.9850 0.775 100.0 11.5
1.510-1.460 1.1620 1.2150 0.663 100.0 11.9
1.460-1.420 1.3700 1.4320 0.511 100.0 12.0
1.420-1.390 1.6380 1.7110 0.389 100.0 13.1
1.390-1.350 1.7280 1.8040 0.306 100.0 12.1