Data quality metrics extracted from 4lvu.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": "c27fb7bddf6bb31a81bbc304a237de30",
  "space_group_name": "P 21 21 2",
  "unit_cell": {
    "a": 71.46,
    "b": 103.39,
    "c": 71.29,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [0.97860],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.0,1.250],
    "number_observations_unique": 143334,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.050
      },
      {
        "type": "I/SigI",
        "value": 26.370
      },
      {
        "type": "Completeness",
        "value": 98.0
      },
      {
        "type": "Redundancy",
        "value": 9.8
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.280,1.250],
      "number_observations": 69272,
      "number_observations_unique": 10078,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.456
        },
        {
          "type": "I/SigI",
          "value": 4.070
        },
        {
          "type": "Completeness",
          "value": 94.6
        }
      ]
    },
    {
      "resolution_limits": [1.320,1.280],
      "number_observations": 74998,
      "number_observations_unique": 10086,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.390
        },
        {
          "type": "I/SigI",
          "value": 5.060
        },
        {
          "type": "Completeness",
          "value": 96.6
        }
      ]
    },
    {
      "resolution_limits": [1.360,1.320],
      "number_observations": 73061,
      "number_observations_unique": 9816,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.340
        },
        {
          "type": "I/SigI",
          "value": 5.830
        },
        {
          "type": "Completeness",
          "value": 96.7
        }
      ]
    },
    {
      "resolution_limits": [1.400,1.360],
      "number_observations": 71500,
      "number_observations_unique": 9622,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.291
        },
        {
          "type": "I/SigI",
          "value": 6.750
        },
        {
          "type": "Completeness",
          "value": 97.1
        }
      ]
    },
    {
      "resolution_limits": [1.440,1.400],
      "number_observations": 69257,
      "number_observations_unique": 9311,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.246
        },
        {
          "type": "I/SigI",
          "value": 7.970
        },
        {
          "type": "Completeness",
          "value": 97.4
        }
      ]
    },
    {
      "resolution_limits": [1.490,1.440],
      "number_observations": 66991,
      "number_observations_unique": 9053,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.191
        },
        {
          "type": "I/SigI",
          "value": 10.120
        },
        {
          "type": "Completeness",
          "value": 97.6
        }
      ]
    },
    {
      "resolution_limits": [1.550,1.490],
      "number_observations": 64773,
      "number_observations_unique": 8773,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.154
        },
        {
          "type": "I/SigI",
          "value": 12.350
        },
        {
          "type": "Completeness",
          "value": 97.8
        }
      ]
    },
    {
      "resolution_limits": [1.610,1.550],
      "number_observations": 62193,
      "number_observations_unique": 8441,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.126
        },
        {
          "type": "I/SigI",
          "value": 15.010
        },
        {
          "type": "Completeness",
          "value": 98.3
        }
      ]
    },
    {
      "resolution_limits": [1.690,1.610],
      "number_observations": 59898,
      "number_observations_unique": 8144,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.107
        },
        {
          "type": "I/SigI",
          "value": 17.230
        },
        {
          "type": "Completeness",
          "value": 98.5
        }
      ]
    },
    {
      "resolution_limits": [1.770,1.690],
      "number_observations": 66640,
      "number_observations_unique": 7814,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.094
        },
        {
          "type": "I/SigI",
          "value": 21.390
        },
        {
          "type": "Completeness",
          "value": 98.6
        }
      ]
    },
    {
      "resolution_limits": [1.860,1.770],
      "number_observations": 108636,
      "number_observations_unique": 7473,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.094
        },
        {
          "type": "I/SigI",
          "value": 29.240
        },
        {
          "type": "Completeness",
          "value": 98.9
        }
      ]
    },
    {
      "resolution_limits": [1.980,1.860],
      "number_observations": 104670,
      "number_observations_unique": 7119,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.072
        },
        {
          "type": "I/SigI",
          "value": 36.220
        },
        {
          "type": "Completeness",
          "value": 99.1
        }
      ]
    },
    {
      "resolution_limits": [2.110,1.980],
      "number_observations": 97513,
      "number_observations_unique": 6656,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 44.670
        },
        {
          "type": "Completeness",
          "value": 99.2
        }
      ]
    },
    {
      "resolution_limits": [2.280,2.110],
      "number_observations": 91656,
      "number_observations_unique": 6262,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.046
        },
        {
          "type": "I/SigI",
          "value": 52.490
        },
        {
          "type": "Completeness",
          "value": 99.6
        }
      ]
    },
    {
      "resolution_limits": [2.500,2.280],
      "number_observations": 85006,
      "number_observations_unique": 5787,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.041
        },
        {
          "type": "I/SigI",
          "value": 58.860
        },
        {
          "type": "Completeness",
          "value": 99.6
        }
      ]
    },
    {
      "resolution_limits": [2.800,2.500],
      "number_observations": 77635,
      "number_observations_unique": 5278,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.037
        },
        {
          "type": "I/SigI",
          "value": 64.280
        },
        {
          "type": "Completeness",
          "value": 99.8
        }
      ]
    },
    {
      "resolution_limits": [3.230,2.800],
      "number_observations": 68932,
      "number_observations_unique": 4688,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.032
        },
        {
          "type": "I/SigI",
          "value": 72.140
        },
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [3.950,3.230],
      "number_observations": 57877,
      "number_observations_unique": 3982,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.028
        },
        {
          "type": "I/SigI",
          "value": 81.840
        },
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [5.590,3.950],
      "number_observations": 44793,
      "number_observations_unique": 3131,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 85.150
        },
        {
          "type": "Completeness",
          "value": 100.0
        }
      ]
    },
    {
      "resolution_limits": [50.0,5.590],
      "number_observations": 23932,
      "number_observations_unique": 1820,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.026
        },
        {
          "type": "I/SigI",
          "value": 79.360
        },
        {
          "type": "Completeness",
          "value": 98.9
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 50.000 1.320
High resolution limit [Å] 1.250 5.590 1.280
R(merge) 0.0500 0.0260 0.3900
Completeness [%] 98.0 98.9 96.6
Multiplicity 9.8 - -


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

Resolution [Å] R(merge) Completeness [%]
50.000-5.590 0.0260 98.9
5.590-3.950 0.0270 100.0
3.950-3.230 0.0280 100.0
3.230-2.800 0.0320 100.0
2.800-2.500 0.0370 99.8
2.500-2.280 0.0410 99.6
2.280-2.110 0.0460 99.6
2.110-1.980 0.0560 99.2
1.980-1.860 0.0720 99.1
1.860-1.770 0.0940 98.9
1.770-1.690 0.0940 98.6
1.690-1.610 0.1070 98.5
1.610-1.550 0.1260 98.3
1.550-1.490 0.1540 97.8
1.490-1.440 0.1910 97.6
1.440-1.400 0.2460 97.4
1.400-1.360 0.2910 97.1
1.360-1.320 0.3400 96.7
1.320-1.280 0.3900 96.6
1.280-1.250 0.4560 94.6