Data quality metrics extracted from 5dvw.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": "1807ec0b030de8c6baef186e9e1a5026",
  "space_group_name": "P 1",
  "unit_cell": {
    "a": 34.09,
    "b": 58.38,
    "c": 66.60,
    "alpha": 96.33,
    "beta": 90.11,
    "gamma": 106.98
  },
  "wavelengths": [0.97856],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50,1.750],
    "number_observations": 114699,
    "number_observations_unique": 47118,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.073
      },
      {
        "type": "R(meas)",
        "value": 0.095
      },
      {
        "type": "I/SigI",
        "value": 8.900
      },
      {
        "type": "Completeness",
        "value": 95.700
      },
      {
        "type": "Redundancy",
        "value": 2.4
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.800,1.750],
      "number_observations": 8645,
      "number_observations_unique": 3553,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.457
        },
        {
          "type": "R(meas)",
          "value": 0.598
        },
        {
          "type": "I/SigI",
          "value": 1.960
        },
        {
          "type": "Completeness",
          "value": 95.600
        },
        {
          "type": "Redundancy",
          "value": 2.4
        }
      ]
    },
    {
      "resolution_limits": [1.840,1.800],
      "number_observations": 8210,
      "number_observations_unique": 3360,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.373
        },
        {
          "type": "R(meas)",
          "value": 0.486
        },
        {
          "type": "I/SigI",
          "value": 2.420
        },
        {
          "type": "Completeness",
          "value": 95.800
        }
      ]
    },
    {
      "resolution_limits": [1.900,1.840],
      "number_observations": 8195,
      "number_observations_unique": 3363,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.303
        },
        {
          "type": "R(meas)",
          "value": 0.395
        },
        {
          "type": "I/SigI",
          "value": 2.990
        },
        {
          "type": "Completeness",
          "value": 96.000
        }
      ]
    },
    {
      "resolution_limits": [1.960,1.900],
      "number_observations": 7768,
      "number_observations_unique": 3180,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.246
        },
        {
          "type": "R(meas)",
          "value": 0.321
        },
        {
          "type": "I/SigI",
          "value": 3.690
        },
        {
          "type": "Completeness",
          "value": 96.000
        }
      ]
    },
    {
      "resolution_limits": [2.020,1.960],
      "number_observations": 7707,
      "number_observations_unique": 3169,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.191
        },
        {
          "type": "R(meas)",
          "value": 0.249
        },
        {
          "type": "I/SigI",
          "value": 4.620
        },
        {
          "type": "Completeness",
          "value": 96.400
        }
      ]
    },
    {
      "resolution_limits": [2.090,2.020],
      "number_observations": 7293,
      "number_observations_unique": 2980,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.150
        },
        {
          "type": "R(meas)",
          "value": 0.195
        },
        {
          "type": "I/SigI",
          "value": 5.880
        },
        {
          "type": "Completeness",
          "value": 96.100
        }
      ]
    },
    {
      "resolution_limits": [2.170,2.090],
      "number_observations": 7105,
      "number_observations_unique": 2917,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.125
        },
        {
          "type": "R(meas)",
          "value": 0.163
        },
        {
          "type": "I/SigI",
          "value": 6.800
        },
        {
          "type": "Completeness",
          "value": 95.800
        }
      ]
    },
    {
      "resolution_limits": [2.260,2.170],
      "number_observations": 6871,
      "number_observations_unique": 2829,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.106
        },
        {
          "type": "R(meas)",
          "value": 0.138
        },
        {
          "type": "I/SigI",
          "value": 8.130
        },
        {
          "type": "Completeness",
          "value": 96.400
        }
      ]
    },
    {
      "resolution_limits": [2.360,2.260],
      "number_observations": 6476,
      "number_observations_unique": 2661,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.093
        },
        {
          "type": "R(meas)",
          "value": 0.122
        },
        {
          "type": "I/SigI",
          "value": 9.080
        },
        {
          "type": "Completeness",
          "value": 96.400
        }
      ]
    },
    {
      "resolution_limits": [2.470,2.360],
      "number_observations": 6305,
      "number_observations_unique": 2583,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.086
        },
        {
          "type": "R(meas)",
          "value": 0.112
        },
        {
          "type": "I/SigI",
          "value": 9.960
        },
        {
          "type": "Completeness",
          "value": 96.100
        }
      ]
    },
    {
      "resolution_limits": [2.610,2.470],
      "number_observations": 5993,
      "number_observations_unique": 2458,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.074
        },
        {
          "type": "R(meas)",
          "value": 0.097
        },
        {
          "type": "I/SigI",
          "value": 11.200
        },
        {
          "type": "Completeness",
          "value": 95.900
        }
      ]
    },
    {
      "resolution_limits": [2.770,2.610],
      "number_observations": 5626,
      "number_observations_unique": 2303,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.070
        },
        {
          "type": "R(meas)",
          "value": 0.091
        },
        {
          "type": "I/SigI",
          "value": 12.290
        },
        {
          "type": "Completeness",
          "value": 96.300
        }
      ]
    },
    {
      "resolution_limits": [2.960,2.770],
      "number_observations": 5177,
      "number_observations_unique": 2130,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.061
        },
        {
          "type": "R(meas)",
          "value": 0.080
        },
        {
          "type": "I/SigI",
          "value": 13.360
        },
        {
          "type": "Completeness",
          "value": 95.600
        }
      ]
    },
    {
      "resolution_limits": [3.200,2.960],
      "number_observations": 4921,
      "number_observations_unique": 2030,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.054
        },
        {
          "type": "R(meas)",
          "value": 0.071
        },
        {
          "type": "I/SigI",
          "value": 15.140
        },
        {
          "type": "Completeness",
          "value": 95.000
        }
      ]
    },
    {
      "resolution_limits": [3.500,3.200],
      "number_observations": 4405,
      "number_observations_unique": 1819,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.047
        },
        {
          "type": "R(meas)",
          "value": 0.061
        },
        {
          "type": "I/SigI",
          "value": 16.920
        },
        {
          "type": "Completeness",
          "value": 94.600
        }
      ]
    },
    {
      "resolution_limits": [3.910,3.500],
      "number_observations": 4050,
      "number_observations_unique": 1663,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "R(meas)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 18.580
        },
        {
          "type": "Completeness",
          "value": 94.100
        }
      ]
    },
    {
      "resolution_limits": [4.520,3.910],
      "number_observations": 3479,
      "number_observations_unique": 1436,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "R(meas)",
          "value": 0.055
        },
        {
          "type": "I/SigI",
          "value": 19.320
        },
        {
          "type": "Completeness",
          "value": 94.400
        }
      ]
    },
    {
      "resolution_limits": [5.530,4.520],
      "number_observations": 2986,
      "number_observations_unique": 1237,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.042
        },
        {
          "type": "R(meas)",
          "value": 0.054
        },
        {
          "type": "I/SigI",
          "value": 19.840
        },
        {
          "type": "Completeness",
          "value": 94.300
        }
      ]
    },
    {
      "resolution_limits": [7.830,5.530],
      "number_observations": 2286,
      "number_observations_unique": 943,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.043
        },
        {
          "type": "R(meas)",
          "value": 0.056
        },
        {
          "type": "I/SigI",
          "value": 19.050
        },
        {
          "type": "Completeness",
          "value": 94.600
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 7.830 1.840
High resolution limit [Å] 1.750 5.530 1.800
R(merge) 0.0730 0.0430 0.3730
R(meas) 0.0950 0.0560 0.4860
Completeness [%] 95.7 94.6 95.8
Multiplicity 2.4 - -


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

Resolution [Å] R(merge) R(meas) Completeness [%] Multiplicity
7.830-5.530 0.0430 0.0560 94.6 -
5.530-4.520 0.0420 0.0540 94.3 -
4.520-3.910 0.0420 0.0550 94.4 -
3.910-3.500 0.0430 0.0560 94.1 -
3.500-3.200 0.0470 0.0610 94.6 -
3.200-2.960 0.0540 0.0710 95.0 -
2.960-2.770 0.0610 0.0800 95.6 -
2.770-2.610 0.0700 0.0910 96.3 -
2.610-2.470 0.0740 0.0970 95.9 -
2.470-2.360 0.0860 0.1120 96.1 -
2.360-2.260 0.0930 0.1220 96.4 -
2.260-2.170 0.1060 0.1380 96.4 -
2.170-2.090 0.1250 0.1630 95.8 -
2.090-2.020 0.1500 0.1950 96.1 -
2.020-1.960 0.1910 0.2490 96.4 -
1.960-1.900 0.2460 0.3210 96.0 -
1.900-1.840 0.3030 0.3950 96.0 -
1.840-1.800 0.3730 0.4860 95.8 -
1.800-1.750 0.4570 0.5980 95.6 2.4