Data quality metrics extracted from 6by1.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": "edd5c31890e1f5fa417936516ab21145",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 211.656,
    "b": 433.909,
    "c": 623.532,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.11580],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [59.994,3.940],
    "number_observations_unique": 501982,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.571
      },
      {
        "type": "R(meas)",
        "value": 0.609
      },
      {
        "type": "I/SigI",
        "value": 3.580
      },
      {
        "type": "Completeness",
        "value": 99.900
      },
      {
        "type": "Redundancy",
        "value": 8.172
      },
      {
        "type": "CC(1/2)",
        "value": 0.994
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [4.040,3.940],
      "number_observations_unique": 36044,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.465
        },
        {
          "type": "R(meas)",
          "value": 2.693
        },
        {
          "type": "I/SigI",
          "value": 0.850
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.141
        },
        {
          "type": "CC(1/2)",
          "value": 0.275
        }
      ]
    },
    {
      "resolution_limits": [4.100,4.040],
      "number_observations_unique": 19986,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.348
        },
        {
          "type": "R(meas)",
          "value": 2.565
        },
        {
          "type": "I/SigI",
          "value": 0.930
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.139
        },
        {
          "type": "CC(1/2)",
          "value": 0.302
        }
      ]
    },
    {
      "resolution_limits": [4.200,4.100],
      "number_observations_unique": 30847,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.198
        },
        {
          "type": "R(meas)",
          "value": 2.401
        },
        {
          "type": "I/SigI",
          "value": 0.990
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 6.147
        },
        {
          "type": "CC(1/2)",
          "value": 0.316
        }
      ]
    },
    {
      "resolution_limits": [4.300,4.200],
      "number_observations_unique": 28069,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.288
        },
        {
          "type": "R(meas)",
          "value": 2.480
        },
        {
          "type": "I/SigI",
          "value": 1.090
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 6.636
        },
        {
          "type": "CC(1/2)",
          "value": 0.345
        }
      ]
    },
    {
      "resolution_limits": [4.400,4.300],
      "number_observations_unique": 25576,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.449
        },
        {
          "type": "R(meas)",
          "value": 2.635
        },
        {
          "type": "I/SigI",
          "value": 1.130
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 7.263
        },
        {
          "type": "CC(1/2)",
          "value": 0.351
        }
      ]
    },
    {
      "resolution_limits": [4.500,4.400],
      "number_observations_unique": 23357,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.277
        },
        {
          "type": "R(meas)",
          "value": 2.445
        },
        {
          "type": "I/SigI",
          "value": 1.240
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.448
        },
        {
          "type": "CC(1/2)",
          "value": 0.390
        }
      ]
    },
    {
      "resolution_limits": [4.600,4.500],
      "number_observations_unique": 21415,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.088
        },
        {
          "type": "R(meas)",
          "value": 2.239
        },
        {
          "type": "I/SigI",
          "value": 1.360
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 7.642
        },
        {
          "type": "CC(1/2)",
          "value": 0.418
        }
      ]
    },
    {
      "resolution_limits": [5.000,4.600],
      "number_observations_unique": 69453,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.881
        },
        {
          "type": "R(meas)",
          "value": 2.008
        },
        {
          "type": "I/SigI",
          "value": 1.560
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 8.241
        },
        {
          "type": "CC(1/2)",
          "value": 0.469
        }
      ]
    },
    {
      "resolution_limits": [6.000,5.000],
      "number_observations_unique": 103369,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.335
        },
        {
          "type": "R(meas)",
          "value": 1.415
        },
        {
          "type": "I/SigI",
          "value": 2.280
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 9.378
        },
        {
          "type": "CC(1/2)",
          "value": 0.649
        }
      ]
    },
    {
      "resolution_limits": [8.000,6.000],
      "number_observations_unique": 82566,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.702
        },
        {
          "type": "R(meas)",
          "value": 0.743
        },
        {
          "type": "I/SigI",
          "value": 4.030
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 9.330
        },
        {
          "type": "CC(1/2)",
          "value": 0.875
        }
      ]
    },
    {
      "resolution_limits": [12.000,8.000],
      "number_observations_unique": 42876,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.227
        },
        {
          "type": "R(meas)",
          "value": 0.240
        },
        {
          "type": "I/SigI",
          "value": 10.670
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 9.119
        },
        {
          "type": "CC(1/2)",
          "value": 0.987
        }
      ]
    },
    {
      "resolution_limits": [20.000,12.000],
      "number_observations_unique": 14440,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.090
        },
        {
          "type": "R(meas)",
          "value": 0.096
        },
        {
          "type": "I/SigI",
          "value": 22.040
        },
        {
          "type": "Completeness",
          "value": 99.900
        },
        {
          "type": "Redundancy",
          "value": 8.632
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [30.000,20.000],
      "number_observations_unique": 2911,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "R(meas)",
          "value": 0.045
        },
        {
          "type": "I/SigI",
          "value": 36.190
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 8.116
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    },
    {
      "resolution_limits": [59.994,30.000],
      "number_observations_unique": 1073,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.039
        },
        {
          "type": "R(meas)",
          "value": 0.042
        },
        {
          "type": "I/SigI",
          "value": 37.940
        },
        {
          "type": "Completeness",
          "value": 81.900
        },
        {
          "type": "Redundancy",
          "value": 7.014
        },
        {
          "type": "CC(1/2)",
          "value": 0.999
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 59.994 59.994 4.100
High resolution limit [Å] 3.940 30.000 4.040
R(merge) 0.5710 0.0390 2.3480
R(meas) 0.6090 0.0420 2.5650
CC(1/2) 0.994 0.999 0.302
Completeness [%] 99.9 81.9 99.8
Multiplicity 8.2 7.0 6.1


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
59.994-30.000 0.0390 0.0420 0.999 81.9 7.0
30.000-20.000 0.0430 0.0450 0.999 99.8 8.1
20.000-12.000 0.0900 0.0960 0.996 99.9 8.6
12.000-8.000 0.2270 0.2400 0.987 100.0 9.1
8.000-6.000 0.7020 0.7430 0.875 100.0 9.3
6.000-5.000 1.3350 1.4150 0.649 100.0 9.4
5.000-4.600 1.8810 2.0080 0.469 99.9 8.2
4.600-4.500 2.0880 2.2390 0.418 99.9 7.6
4.500-4.400 2.2770 2.4450 0.390 99.9 7.4
4.400-4.300 2.4490 2.6350 0.351 99.8 7.3
4.300-4.200 2.2880 2.4800 0.345 99.8 6.6
4.200-4.100 2.1980 2.4010 0.316 99.9 6.1
4.100-4.040 2.3480 2.5650 0.302 99.8 6.1
4.040-3.940 2.4650 2.6930 0.275 99.8 6.1