Data quality metrics extracted from 5p7u.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": "a76126d6167ec68a1196c1c22a49d2f6",
  "space_group_name": "P 1 21 1",
  "unit_cell": {
    "a": 45.330,
    "b": 72.791,
    "c": 52.688,
    "alpha": 90.00,
    "beta": 109.31,
    "gamma": 90.00
  },
  "wavelengths": [0.89500],
  "anisotropic_diffraction": false,
  "overall_refln_statistics": {
    "resolution_limits": [42.78,1.100],
    "number_observations": 504524,
    "number_observations_unique": 123115,
    "quality_factors": [
      {
        "type": "R(merge)",
        "value": 0.061
      },
      {
        "type": "R(meas)",
        "value": 0.070
      },
      {
        "type": "I/SigI",
        "value": 13.230
      },
      {
        "type": "Completeness",
        "value": 93.800
      },
      {
        "type": "Redundancy",
        "value": 4.097
      },
      {
        "type": "CC(1/2)",
        "value": 0.999
      }
    ]
  },
  "refln_shells": [
    {
      "resolution_limits": [1.170,1.100],
      "number_observations": 53305,
      "number_observations_unique": 15544,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.566
        },
        {
          "type": "R(meas)",
          "value": 0.670
        },
        {
          "type": "I/SigI",
          "value": 2.330
        },
        {
          "type": "Completeness",
          "value": 73.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.742
        }
      ]
    },
    {
      "resolution_limits": [1.250,1.170],
      "number_observations": 79916,
      "number_observations_unique": 19094,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.434
        },
        {
          "type": "R(meas)",
          "value": 0.497
        },
        {
          "type": "I/SigI",
          "value": 3.680
        },
        {
          "type": "Completeness",
          "value": 96.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.879
        }
      ]
    },
    {
      "resolution_limits": [1.350,1.250],
      "number_observations": 75607,
      "number_observations_unique": 17899,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.311
        },
        {
          "type": "R(meas)",
          "value": 0.355
        },
        {
          "type": "I/SigI",
          "value": 5.050
        },
        {
          "type": "Completeness",
          "value": 96.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.935
        }
      ]
    },
    {
      "resolution_limits": [1.470,1.350],
      "number_observations": 70345,
      "number_observations_unique": 16652,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.189
        },
        {
          "type": "R(meas)",
          "value": 0.216
        },
        {
          "type": "I/SigI",
          "value": 7.950
        },
        {
          "type": "Completeness",
          "value": 97.500
        },
        {
          "type": "CC(1/2)",
          "value": 0.973
        }
      ]
    },
    {
      "resolution_limits": [1.650,1.470],
      "number_observations": 63965,
      "number_observations_unique": 15146,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.110
        },
        {
          "type": "R(meas)",
          "value": 0.126
        },
        {
          "type": "I/SigI",
          "value": 12.690
        },
        {
          "type": "Completeness",
          "value": 98.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.990
        }
      ]
    },
    {
      "resolution_limits": [1.900,1.650],
      "number_observations": 56724,
      "number_observations_unique": 13458,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.066
        },
        {
          "type": "R(meas)",
          "value": 0.075
        },
        {
          "type": "I/SigI",
          "value": 19.800
        },
        {
          "type": "Completeness",
          "value": 98.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.996
        }
      ]
    },
    {
      "resolution_limits": [2.330,1.900],
      "number_observations": 47760,
      "number_observations_unique": 11444,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.044
        },
        {
          "type": "R(meas)",
          "value": 0.050
        },
        {
          "type": "I/SigI",
          "value": 29.270
        },
        {
          "type": "Completeness",
          "value": 99.200
        },
        {
          "type": "CC(1/2)",
          "value": 0.997
        }
      ]
    },
    {
      "resolution_limits": [3.290,2.330],
      "number_observations": 37029,
      "number_observations_unique": 8941,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.035
        },
        {
          "type": "R(meas)",
          "value": 0.041
        },
        {
          "type": "I/SigI",
          "value": 35.030
        },
        {
          "type": "Completeness",
          "value": 99.700
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    },
    {
      "resolution_limits": [42.78,3.290],
      "number_observations": 19873,
      "number_observations_unique": 4937,
      "quality_factors": [
        {
          "type": "R(merge)",
          "value": 0.030
        },
        {
          "type": "R(meas)",
          "value": 0.035
        },
        {
          "type": "I/SigI",
          "value": 39.080
        },
        {
          "type": "Completeness",
          "value": 98.600
        },
        {
          "type": "CC(1/2)",
          "value": 0.998
        }
      ]
    }
  ]

}
  

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

  Overall InnerShell OuterShell
Low resolution limit [Å] 42.780 42.780 1.250
High resolution limit [Å] 1.100 3.290 1.170
R(merge) 0.0610 0.0300 0.4340
R(meas) 0.0700 0.0350 0.4970
CC(1/2) 0.999 0.998 0.879
Completeness [%] 93.8 98.6 96.2
Multiplicity 5.1 - -


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

Resolution [Å] R(merge) R(meas) CC(1/2) Completeness [%]
42.780-3.290 0.0300 0.0350 0.998 98.6
3.290-2.330 0.0350 0.0410 0.998 99.7
2.330-1.900 0.0440 0.0500 0.997 99.2
1.900-1.650 0.0660 0.0750 0.996 98.7
1.650-1.470 0.1100 0.1260 0.990 98.2
1.470-1.350 0.1890 0.2160 0.973 97.5
1.350-1.250 0.3110 0.3550 0.935 96.6
1.250-1.170 0.4340 0.4970 0.879 96.2
1.170-1.100 0.5660 0.6700 0.742 73.5