Data quality metrics extracted from 6xe7.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": "243e5b33232ae5b34105d8adfd33fb5a",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 62.637,
    "b": 82.764,
    "c": 104.769,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.54190],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [29.2920,2.000],
    "number_observations_unique": 37109,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.079
      },
      {
        "type": "R(meas)",
        "value": 0.090
      },
      {
        "type": "I/SigI",
        "value": 8.500
      },
      {
        "type": "Completeness",
        "value": 98.900
      },
      {
        "type": "Redundancy",
        "value": 4.040
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.070,2.000],
      "number_observations": 15923,
      "number_observations_unique": 3683,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.428
        },
        {
          "type": "R(meas)",
          "value": 0.497
        },
        {
          "type": "I/SigI",
          "value": 2.300
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.810
        }
      ]
    },
    {
      "resolution_limits": [2.150,2.070],
      "number_observations": 16131,
      "number_observations_unique": 3690,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.367
        },
        {
          "type": "R(meas)",
          "value": 0.423
        },
        {
          "type": "I/SigI",
          "value": 2.700
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.900
        }
      ]
    },
    {
      "resolution_limits": [2.250,2.150],
      "number_observations": 16246,
      "number_observations_unique": 3679,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.310
        },
        {
          "type": "R(meas)",
          "value": 0.357
        },
        {
          "type": "I/SigI",
          "value": 3.300
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.950
        }
      ]
    },
    {
      "resolution_limits": [2.370,2.250],
      "number_observations": 16386,
      "number_observations_unique": 3685,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.253
        },
        {
          "type": "R(meas)",
          "value": 0.291
        },
        {
          "type": "I/SigI",
          "value": 4.000
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.950
        }
      ]
    },
    {
      "resolution_limits": [2.520,2.370],
      "number_observations": 16733,
      "number_observations_unique": 3714,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.207
        },
        {
          "type": "R(meas)",
          "value": 0.236
        },
        {
          "type": "I/SigI",
          "value": 5.000
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 4.040
        }
      ]
    },
    {
      "resolution_limits": [2.710,2.520],
      "number_observations": 16840,
      "number_observations_unique": 3712,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.155
        },
        {
          "type": "R(meas)",
          "value": 0.178
        },
        {
          "type": "I/SigI",
          "value": 6.300
        },
        {
          "type": "Completeness",
          "value": 99.500
        },
        {
          "type": "Redundancy",
          "value": 4.030
        }
      ]
    },
    {
      "resolution_limits": [2.990,2.710],
      "number_observations": 16917,
      "number_observations_unique": 3701,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.110
        },
        {
          "type": "R(meas)",
          "value": 0.126
        },
        {
          "type": "I/SigI",
          "value": 8.600
        },
        {
          "type": "Completeness",
          "value": 99.100
        },
        {
          "type": "Redundancy",
          "value": 4.090
        }
      ]
    },
    {
      "resolution_limits": [3.420,2.990],
      "number_observations": 17062,
      "number_observations_unique": 3724,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.076
        },
        {
          "type": "R(meas)",
          "value": 0.086
        },
        {
          "type": "I/SigI",
          "value": 11.800
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 4.170
        }
      ]
    },
    {
      "resolution_limits": [4.300,3.420],
      "number_observations": 17193,
      "number_observations_unique": 3749,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.051
        },
        {
          "type": "R(meas)",
          "value": 0.057
        },
        {
          "type": "I/SigI",
          "value": 16.900
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "Redundancy",
          "value": 4.330
        }
      ]
    },
    {
      "resolution_limits": [29.290,4.300],
      "number_observations": 16820,
      "number_observations_unique": 3772,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.038
        },
        {
          "type": "R(meas)",
          "value": 0.043
        },
        {
          "type": "I/SigI",
          "value": 22.200
        },
        {
          "type": "Completeness",
          "value": 95.200
        },
        {
          "type": "Redundancy",
          "value": 4.150
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 29.292 29.290 2.150
High resolution limit [Å] 2.000 4.300 2.070
R(merge) 0.0790 0.0380 0.3670
R(meas) 0.0900 0.0430 0.4230
Completeness [%] 98.9 95.2 99.7
Multiplicity 4.0 4.2 3.9


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

Resolution [Å] R(merge) R(meas) Completeness [%] Multiplicity
29.290-4.300 0.0380 0.0430 95.2 4.2
4.300-3.420 0.0510 0.0570 98.6 4.3
3.420-2.990 0.0760 0.0860 98.9 4.2
2.990-2.710 0.1100 0.1260 99.1 5.1
2.710-2.520 0.1550 0.1780 99.5 4.0
2.520-2.370 0.2070 0.2360 99.6 4.0
2.370-2.250 0.2530 0.2910 99.7 4.0
2.250-2.150 0.3100 0.3570 99.6 4.0
2.150-2.070 0.3670 0.4230 99.7 3.9
2.070-2.000 0.4280 0.4970 99.7 3.8