Data quality metrics extracted from 7wie.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": "bbcb75ccb87bcae60410d561b55f624c",
  "space_group_name": "P 31 2 1",
  "unit_cell": {
    "a": 66.944,
    "b": 66.944,
    "c": 94.572,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 120.0
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [50.00,2.90],
    "number_observations": 98354,
    "number_observations_unique": 5770,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.091
      },
      {
        "type": "R(meas)",
        "value": 0.094
      },
      {
        "type": "I/SigI",
        "value": 11.7
      },
      {
        "type": "Completeness",
        "value": 99.7
      },
      {
        "type": "Redundancy",
        "value": 9.4
      },
      {
        "type": "CC(1/2)",
        "value": 0.944
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.95,2.90],
      "number_observations_unique": 519,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.132
        },
        {
          "type": "Completeness",
          "value": 96.8
        },
        {
          "type": "Redundancy",
          "value": 8.3
        }
      ]
    },
    {
      "resolution_limits": [3.00,2.95],
      "number_observations_unique": 519,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.731
        },
        {
          "type": "Completeness",
          "value": 99.2
        },
        {
          "type": "Redundancy",
          "value": 8.6
        }
      ]
    },
    {
      "resolution_limits": [3.06,3.00],
      "number_observations_unique": 501,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.403
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 8.8
        }
      ]
    },
    {
      "resolution_limits": [3.12,3.06],
      "number_observations_unique": 562,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.342
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 9.1
        }
      ]
    },
    {
      "resolution_limits": [3.19,3.12],
      "number_observations_unique": 515,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.290
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 9.2
        }
      ]
    },
    {
      "resolution_limits": [3.27,3.19],
      "number_observations_unique": 491,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.264
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 8.8
        }
      ]
    },
    {
      "resolution_limits": [3.35,3.27],
      "number_observations_unique": 576,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.186
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 9.7
        }
      ]
    },
    {
      "resolution_limits": [3.44,3.35],
      "number_observations_unique": 488,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.197
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 10.5
        }
      ]
    },
    {
      "resolution_limits": [3.54,3.44],
      "number_observations_unique": 553,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.209
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 10.4
        }
      ]
    },
    {
      "resolution_limits": [3.65,3.54],
      "number_observations_unique": 532,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.166
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 10.4
        }
      ]
    },
    {
      "resolution_limits": [3.78,3.65],
      "number_observations_unique": 510,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.133
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 10.1
        }
      ]
    },
    {
      "resolution_limits": [3.94,3.78],
      "number_observations_unique": 564,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.124
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 10.0
        }
      ]
    },
    {
      "resolution_limits": [4.11,3.94],
      "number_observations_unique": 497,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.120
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 9.7
        }
      ]
    },
    {
      "resolution_limits": [4.33,4.11],
      "number_observations_unique": 505,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.104
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 8.4
        }
      ]
    },
    {
      "resolution_limits": [4.60,4.33],
      "number_observations_unique": 522,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.099
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 9.9
        }
      ]
    },
    {
      "resolution_limits": [4.96,4.60],
      "number_observations_unique": 524,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.097
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 9.7
        }
      ]
    },
    {
      "resolution_limits": [5.46,4.96],
      "number_observations_unique": 532,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.089
        },
        {
          "type": "Completeness",
          "value": 99.8
        },
        {
          "type": "Redundancy",
          "value": 9.4
        }
      ]
    },
    {
      "resolution_limits": [6.24,5.46],
      "number_observations_unique": 541,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.083
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 8.6
        }
      ]
    },
    {
      "resolution_limits": [7.86,6.24],
      "number_observations_unique": 533,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.078
        },
        {
          "type": "Completeness",
          "value": 100.0
        },
        {
          "type": "Redundancy",
          "value": 9.0
        }
      ]
    },
    {
      "resolution_limits": [50.00,7.86],
      "number_observations_unique": 531,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.070
        },
        {
          "type": "Completeness",
          "value": 99.3
        },
        {
          "type": "Redundancy",
          "value": 8.2
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 50.000 50.000 3.000
High resolution limit [Å] 2.900 7.860 2.950
R(merge) 0.0910 0.0700 0.7310
R(meas) 0.0940 - -
CC(1/2) 0.944 - -
Completeness [%] 99.7 99.3 99.2
Multiplicity 9.4 8.2 8.6


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

Resolution [Å] R(merge) Completeness [%] Multiplicity
50.000-7.860 0.0700 99.3 8.2
7.860-6.240 0.0780 100.0 9.0
6.240-5.460 0.0830 100.0 8.6
5.460-4.960 0.0890 99.8 9.4
4.960-4.600 0.0970 100.0 9.7
4.600-4.330 0.0990 100.0 9.9
4.330-4.110 0.1040 100.0 8.4
4.110-3.940 0.1200 100.0 9.7
3.940-3.780 0.1240 100.0 10.0
3.780-3.650 0.1330 100.0 10.1
3.650-3.540 0.1660 100.0 10.4
3.540-3.440 0.2090 100.0 10.4
3.440-3.350 0.1970 100.0 10.5
3.350-3.270 0.1860 100.0 9.7
3.270-3.190 0.2640 99.8 8.8
3.190-3.120 0.2900 100.0 9.2
3.120-3.060 0.3420 100.0 9.1
3.060-3.000 0.4030 99.8 8.8
3.000-2.950 0.7310 99.2 8.6
2.950-2.900 1.1320 96.8 8.3