Data quality metrics extracted from 5w1k.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": "ae97591009ab84d607ab703c7f065a76",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 154.84,
    "b": 132.23,
    "c": 167.42,
    "alpha": 90.00,
    "beta": 92.47,
    "gamma": 90.00
  },
  "wavelengths": [0.97900],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [49.350,3.990],
    "number_observations": 194531,
    "number_observations_unique": 57195,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.721
      },
      {
        "type": "R(meas)",
        "value": 0.857
      },
      {
        "type": "I/SigI",
        "value": 2.340
      },
      {
        "type": "Completeness",
        "value": 99.100
      },
      {
        "type": "Redundancy",
        "value": 3.401
      },
      {
        "type": "CC(1/2)",
        "value": 0.796
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [4.230,3.990],
      "number_observations": 30534,
      "number_observations_unique": 8957,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.586
        },
        {
          "type": "R(meas)",
          "value": 1.886
        },
        {
          "type": "I/SigI",
          "value": 1.030
        },
        {
          "type": "Completeness",
          "value": 97.600
        },
        {
          "type": "Redundancy",
          "value": 3.409
        },
        {
          "type": "CC(1/2)",
          "value": 0.465
        }
      ]
    },
    {
      "resolution_limits": [4.520,4.230],
      "number_observations": 29698,
      "number_observations_unique": 8680,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 1.022
        },
        {
          "type": "R(meas)",
          "value": 1.216
        },
        {
          "type": "I/SigI",
          "value": 1.570
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.421
        },
        {
          "type": "CC(1/2)",
          "value": 0.644
        }
      ]
    },
    {
      "resolution_limits": [4.880,4.520],
      "number_observations": 27660,
      "number_observations_unique": 8086,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.813
        },
        {
          "type": "R(meas)",
          "value": 0.966
        },
        {
          "type": "I/SigI",
          "value": 1.850
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "Redundancy",
          "value": 3.421
        },
        {
          "type": "CC(1/2)",
          "value": 0.739
        }
      ]
    },
    {
      "resolution_limits": [5.340,4.880],
      "number_observations": 25365,
      "number_observations_unique": 7432,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.738
        },
        {
          "type": "R(meas)",
          "value": 0.878
        },
        {
          "type": "I/SigI",
          "value": 1.970
        },
        {
          "type": "Completeness",
          "value": 99.800
        },
        {
          "type": "Redundancy",
          "value": 3.413
        },
        {
          "type": "CC(1/2)",
          "value": 0.770
        }
      ]
    },
    {
      "resolution_limits": [5.970,5.340],
      "number_observations": 23300,
      "number_observations_unique": 6838,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.833
        },
        {
          "type": "R(meas)",
          "value": 0.990
        },
        {
          "type": "I/SigI",
          "value": 1.780
        },
        {
          "type": "Completeness",
          "value": 99.600
        },
        {
          "type": "Redundancy",
          "value": 3.407
        },
        {
          "type": "CC(1/2)",
          "value": 0.724
        }
      ]
    },
    {
      "resolution_limits": [6.870,5.970],
      "number_observations": 19914,
      "number_observations_unique": 5866,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.796
        },
        {
          "type": "R(meas)",
          "value": 0.946
        },
        {
          "type": "I/SigI",
          "value": 1.840
        },
        {
          "type": "Completeness",
          "value": 99.400
        },
        {
          "type": "Redundancy",
          "value": 3.395
        },
        {
          "type": "CC(1/2)",
          "value": 0.732
        }
      ]
    },
    {
      "resolution_limits": [8.380,6.870],
      "number_observations": 17016,
      "number_observations_unique": 5072,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.455
        },
        {
          "type": "R(meas)",
          "value": 0.541
        },
        {
          "type": "I/SigI",
          "value": 2.910
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "Redundancy",
          "value": 3.355
        },
        {
          "type": "CC(1/2)",
          "value": 0.904
        }
      ]
    },
    {
      "resolution_limits": [11.680,8.380],
      "number_observations": 13247,
      "number_observations_unique": 3931,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.166
        },
        {
          "type": "R(meas)",
          "value": 0.198
        },
        {
          "type": "I/SigI",
          "value": 6.550
        },
        {
          "type": "Completeness",
          "value": 98.900
        },
        {
          "type": "Redundancy",
          "value": 3.370
        },
        {
          "type": "CC(1/2)",
          "value": 0.982
        }
      ]
    },
    {
      "resolution_limits": [49.350,11.680],
      "number_observations": 7797,
      "number_observations_unique": 2333,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.134
        },
        {
          "type": "R(meas)",
          "value": 0.160
        },
        {
          "type": "I/SigI",
          "value": 7.530
        },
        {
          "type": "Completeness",
          "value": 97.000
        },
        {
          "type": "Redundancy",
          "value": 3.342
        },
        {
          "type": "CC(1/2)",
          "value": 0.988
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 49.350 49.350 4.520
High resolution limit [Å] 3.990 11.680 4.230
R(merge) 0.7210 0.1340 1.0220
R(meas) 0.8570 0.1600 1.2160
CC(1/2) 0.796 0.988 0.644
Completeness [%] 99.1 97.0 99.7
Multiplicity 3.4 3.3 3.4


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%] Multiplicity
49.350-11.680 0.1340 0.1600 0.988 97.0 3.3
11.680-8.380 0.1660 0.1980 0.982 98.9 3.4
8.380-6.870 0.4550 0.5410 0.904 99.2 3.4
6.870-5.970 0.7960 0.9460 0.732 99.4 3.4
5.970-5.340 0.8330 0.9900 0.724 99.6 3.4
5.340-4.880 0.7380 0.8780 0.770 99.8 3.4
4.880-4.520 0.8130 0.9660 0.739 99.7 3.4
4.520-4.230 1.0220 1.2160 0.644 99.7 3.4
4.230-3.990 1.5860 1.8860 0.465 97.6 3.4