Data quality metrics extracted from 5jjw.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": "3f80186a5f93d1113328714f1eb40385",
  "space_group_name": "P 64 2 2",
  "unit_cell": {
    "a": 117.925,
    "b": 117.925,
    "c": 205.326,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97949],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.000,3.000],
    "number_observations": 539429,
    "number_observations_unique": 17447,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.197
      },
      {
        "type": "R(meas)",
        "value": 0.201
      },
      {
        "type": "R(pim)",
        "value": 0.036
      },
      {
        "type": "I/SigI",
        "value": 4.000
      },
      {
        "type": "Completeness",
        "value": 100.000
      },
      {
        "type": "Redundancy",
        "value": 30.900
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [3.050,3.000],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 2.594
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 31.600
        }
      ]
    },
    {
      "resolution_limits": [3.110,3.050],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.999
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 31.500
        }
      ]
    },
    {
      "resolution_limits": [3.170,3.110],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.753
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 31.700
        }
      ]
    },
    {
      "resolution_limits": [3.230,3.170],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.503
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 31.800
        }
      ]
    },
    {
      "resolution_limits": [3.300,3.230],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.219
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 31.500
        }
      ]
    },
    {
      "resolution_limits": [3.380,3.300],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.979
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 31.700
        }
      ]
    },
    {
      "resolution_limits": [3.460,3.380],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.783
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 31.500
        }
      ]
    },
    {
      "resolution_limits": [3.560,3.460],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.635
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 31.700
        }
      ]
    },
    {
      "resolution_limits": [3.660,3.560],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.459
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 31.400
        }
      ]
    },
    {
      "resolution_limits": [3.780,3.660],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.412
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 31.600
        }
      ]
    },
    {
      "resolution_limits": [3.910,3.780],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.354
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 31.200
        }
      ]
    },
    {
      "resolution_limits": [4.070,3.910],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.281
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 31.400
        }
      ]
    },
    {
      "resolution_limits": [4.260,4.070],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.219
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 31.200
        }
      ]
    },
    {
      "resolution_limits": [4.480,4.260],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.191
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 31.200
        }
      ]
    },
    {
      "resolution_limits": [4.760,4.480],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.163
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 31.000
        }
      ]
    },
    {
      "resolution_limits": [5.130,4.760],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.149
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 30.800
        }
      ]
    },
    {
      "resolution_limits": [5.640,5.130],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.128
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 30.600
        }
      ]
    },
    {
      "resolution_limits": [6.460,5.640],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.122
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 30.100
        }
      ]
    },
    {
      "resolution_limits": [8.130,6.460],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.090
        },
        {
          "type": "Completeness",
          "value": 100.000
        },
        {
          "type": "Redundancy",
          "value": 29.600
        }
      ]
    },
    {
      "resolution_limits": [50.000,8.130],
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.058
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 26.500
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 50.000 3.110
High resolution limit [Å] 3.000 8.130 3.050
R(merge) 0.1970 0.0580 1.9990
R(meas) 0.2010 - -
R(pim) 0.0360 - -
Completeness [%] 100.0 99.4 100.0
Multiplicity 30.9 26.5 31.5


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
50.000-8.130 0.0580 99.4 26.5
8.130-6.460 0.0900 100.0 29.6
6.460-5.640 0.1220 100.0 30.1
5.640-5.130 0.1280 100.0 30.6
5.130-4.760 0.1490 100.0 30.8
4.760-4.480 0.1630 100.0 31.0
4.480-4.260 0.1910 100.0 31.2
4.260-4.070 0.2190 100.0 31.2
4.070-3.910 0.2810 100.0 31.4
3.910-3.780 0.3540 100.0 31.2
3.780-3.660 0.4120 100.0 31.6
3.660-3.560 0.4590 100.0 31.4
3.560-3.460 0.6350 100.0 31.7
3.460-3.380 0.7830 100.0 31.5
3.380-3.300 0.9790 100.0 31.7
3.300-3.230 1.2190 100.0 31.5
3.230-3.170 1.5030 100.0 31.8
3.170-3.110 1.7530 100.0 31.7
3.110-3.050 1.9990 100.0 31.5
3.050-3.000 2.5940 100.0 31.6