Data quality metrics extracted from 4xw3.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": "64bd23c18cd10c17243942530e42a2d7",
  "space_group_name": "P 21 21 21",
  "unit_cell": {
    "a": 45.06,
    "b": 76.14,
    "c": 122.66,
    "alpha": 90.0,
    "beta": 90.0,
    "gamma": 90.0
  },
  "wavelengths": [1.06998],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [47.78,2.000],
    "number_observations": 367329,
    "number_observations_unique": 28891,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.076
      },
      {
        "type": "R(meas)",
        "value": 0.079
      },
      {
        "type": "I/SigI",
        "value": 23.630
      },
      {
        "type": "Completeness",
        "value": 98.600
      },
      {
        "type": "Redundancy",
        "value": 12.71
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [2.100,2.000],
      "number_observations": 48403,
      "number_observations_unique": 3815,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.563
        },
        {
          "type": "R(meas)",
          "value": 0.586
        },
        {
          "type": "I/SigI",
          "value": 6.520
        },
        {
          "type": "Completeness",
          "value": 97.600
        },
        {
          "type": "Redundancy",
          "value": 12.69
        }
      ]
    },
    {
      "resolution_limits": [2.200,2.100],
      "number_observations": 42646,
      "number_observations_unique": 3170,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.410
        },
        {
          "type": "R(meas)",
          "value": 0.426
        },
        {
          "type": "I/SigI",
          "value": 8.900
        },
        {
          "type": "Completeness",
          "value": 97.700
        }
      ]
    },
    {
      "resolution_limits": [2.400,2.200],
      "number_observations": 65065,
      "number_observations_unique": 4907,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.285
        },
        {
          "type": "R(meas)",
          "value": 0.296
        },
        {
          "type": "I/SigI",
          "value": 11.760
        },
        {
          "type": "Completeness",
          "value": 98.000
        }
      ]
    },
    {
      "resolution_limits": [2.600,2.400],
      "number_observations": 43466,
      "number_observations_unique": 3512,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.195
        },
        {
          "type": "R(meas)",
          "value": 0.204
        },
        {
          "type": "I/SigI",
          "value": 14.960
        },
        {
          "type": "Completeness",
          "value": 98.600
        }
      ]
    },
    {
      "resolution_limits": [2.700,2.600],
      "number_observations": 18075,
      "number_observations_unique": 1404,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.138
        },
        {
          "type": "R(meas)",
          "value": 0.143
        },
        {
          "type": "I/SigI",
          "value": 19.390
        },
        {
          "type": "Completeness",
          "value": 98.600
        }
      ]
    },
    {
      "resolution_limits": [2.800,2.700],
      "number_observations": 16593,
      "number_observations_unique": 1230,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.116
        },
        {
          "type": "R(meas)",
          "value": 0.121
        },
        {
          "type": "I/SigI",
          "value": 22.300
        },
        {
          "type": "Completeness",
          "value": 98.900
        }
      ]
    },
    {
      "resolution_limits": [3.000,2.800],
      "number_observations": 26100,
      "number_observations_unique": 1956,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.086
        },
        {
          "type": "R(meas)",
          "value": 0.090
        },
        {
          "type": "I/SigI",
          "value": 27.020
        },
        {
          "type": "Completeness",
          "value": 98.600
        }
      ]
    },
    {
      "resolution_limits": [4.000,3.000],
      "number_observations": 61154,
      "number_observations_unique": 5033,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.048
        },
        {
          "type": "R(meas)",
          "value": 0.050
        },
        {
          "type": "I/SigI",
          "value": 37.030
        },
        {
          "type": "Completeness",
          "value": 99.400
        }
      ]
    },
    {
      "resolution_limits": [6.000,4.000],
      "number_observations": 32537,
      "number_observations_unique": 2655,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.029
        },
        {
          "type": "R(meas)",
          "value": 0.030
        },
        {
          "type": "I/SigI",
          "value": 57.040
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [10.000,6.000],
      "number_observations": 10304,
      "number_observations_unique": 926,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.025
        },
        {
          "type": "R(meas)",
          "value": 0.027
        },
        {
          "type": "I/SigI",
          "value": 59.210
        },
        {
          "type": "Completeness",
          "value": 99.700
        }
      ]
    },
    {
      "resolution_limits": [47.78,10.000],
      "number_observations": 2986,
      "number_observations_unique": 283,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.022
        },
        {
          "type": "R(meas)",
          "value": 0.023
        },
        {
          "type": "I/SigI",
          "value": 67.610
        },
        {
          "type": "Completeness",
          "value": 99.300
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 47.780 47.780 2.200
High resolution limit [Å] 2.000 10.000 2.100
R(merge) 0.0760 0.0220 0.4100
R(meas) 0.0790 0.0230 0.4260
Completeness [%] 98.6 99.3 97.7
Multiplicity 12.7 - -


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

Resolution [Å] R(merge) R(meas) Completeness [%] Multiplicity
47.780-10.000 0.0220 0.0230 99.3 -
10.000-6.000 0.0250 0.0270 99.7 -
6.000-4.000 0.0290 0.0300 99.7 -
4.000-3.000 0.0480 0.0500 99.4 -
3.000-2.800 0.0860 0.0900 98.6 -
2.800-2.700 0.1160 0.1210 98.9 -
2.700-2.600 0.1380 0.1430 98.6 -
2.600-2.400 0.1950 0.2040 98.6 -
2.400-2.200 0.2850 0.2960 98.0 -
2.200-2.100 0.4100 0.4260 97.7 -
2.100-2.000 0.5630 0.5860 97.6 12.7